Hydrochloric Acid

Hydrochloric Acid

SCHEMBL501421

COc1ccc2[nH]c(COc3ccc(CC4SC(=O)NC4=O)cc3)nc2c1.Cl

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 9/20 0.61
CA2 known ✓ P00918 1/20 0.48
MPC2 O95563 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2C9 P11712 1/20 0.55
FFAR1 O14842 10/20 0.53
PPARA Q07869 6/20 0.53
CYP3A4 P08684 1/20 0.48
RXRA P19793 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3370792 0.99 PPARG (0.62) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL877848 0.91 PPARG (0.65) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL4622433 0.85 PPARG (0.57) PPARGMPC2CYP2C8CYP2C9FFAR1
Hydrochloric Acid SCHEMBL4177074 0.81 PPARG (0.51) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6896704 0.80 PPARG (0.51) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL6896700 0.78 PPARG (0.86) PPARGMPC2CYP2C8CYP2C9FFAR1
Rivoglitazone SCHEMBL1592290 0.77 PPARG (0.98) PPARGMPC2CYP2C8CYP2C9FFAR1
Rivoglitazone SCHEMBL6064788 0.77 PPARG (0.98) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL7836834 0.77 FFAR1 (0.56) PPARGFFAR1PPARA
SCHEMBL4857396 0.77 PPARG (0.56) PPARGMPC2CYP2C8CYP2C9FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
US-11007162-B2 Methods of reducing small, dense LDL particles CYMABAY THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2019-10-03 US disclosed
US-20190192475-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-2346498-B1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS INC (US) 2018-12-26 EP disclosed
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (DE) 2017-10-26 US disclosed
US-9724322-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-08 US disclosed
US-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2016-11-10 US disclosed
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
US-20060058382-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-16 US disclosed
US-20060058393-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-16 US disclosed
US-20050124698-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-06-09 US disclosed
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-05-19 US disclosed
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 US disclosed
US-20040167211-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
US-20030199557-A1 Combination therapy comprising glucose reabsorption inhibitors and PPAR modulators BUSSOLARI JACQUELINE C (US) 2003-10-23 US disclosed
US-20030055091-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-03-20 US disclosed
US-20030045553-A1 Combination therapy comprising glucose reabsorption inhibitors and PPAR modulators ORTHO-MCNEIL PHARMACEUITCAL, INC. 2003-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP PPARG 409/4885CA2 4567/4885MPC2 2148/4885
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP PPARG 409/4885CA2 4567/4885MPC2 2148/4885
US-20060058382-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARG 2/4885CA2 2981/4885MPC2 214/4885
US-20060058393-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARG 2/4885CA2 2981/4885MPC2 214/4885
US-20190192475-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARG 2/4885CA2 2731/4885MPC2 372/4885
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARG 2/4885CA2 2981/4885MPC2 214/4885
US-20050124698-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARG 2/4885CA2 2857/4885MPC2 348/4885
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARG 2/4885CA2 2731/4885MPC2 372/4885
US-20030055091-A1 Combination therapy comprising glucose reabsorption inhibitors and retinoid-X receptor modulators GPR119, SLC2A4, SLC2A1 PPARG 111/4885CA2 1825/4885MPC2 323/4885
US-11007162-B2 Methods of reducing small, dense LDL particles LDLR, APOB, HDLBP PPARG 409/4885CA2 4567/4885MPC2 2148/4885
US-20030045553-A1 Combination therapy comprising glucose reabsorption inhibitors and PPAR modulators GPR119, SLC2A4, PPARG PPARG 3/4885CA2 2712/4885MPC2 80/4885
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARG 2/4885CA2 2731/4885MPC2 372/4885
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PPARG 2/4885CA2 2857/4885MPC2 348/4885
US-20040167211-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD PPARG 2/4885CA2 2558/4885MPC2 1270/4885
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARG 2/4885CA2 2731/4885MPC2 372/4885
US-20030199557-A1 Combination therapy comprising glucose reabsorption inhibitors and PPAR modulators GPR119, SLC2A4, PPARG PPARG 3/4885CA2 2712/4885MPC2 80/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.