Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2074402

COc1cccc(-c2ccc(C[C@H](N)C(=O)OC(C)(C)C)cc2)c1.Cl

nearest known ligand 0.51

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 13)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 2/20 0.51
MME P08473 1/20 0.48
TPH1 P17752 4/20 0.48
TPH2 Q8IWU9 2/20 0.48
SLC13A5 Q86YT5 1/20 0.47
HSD17B2 P37059 1/20 0.44
FFAR1 O14842 4/20 0.43
SLC7A5 Q01650 1/20 0.43
IDH1 O75874 1/20 0.42
GNA15 P30679 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MMP9 P14780 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL2074406 0.99 MAOB (0.50) MAOBMMETPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL1676860 0.88 MAOB (0.56) MAOBMMETPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL1676855 0.88 MAOB (0.56) MAOBMMETPH1TPH2SLC13A5
SCHEMBL5069330 0.87 MME (0.56) MAOBMMETPH1TPH2SLC13A5
SCHEMBL1676859 0.87 MME (0.56) MAOBMMETPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL27782845 0.85 SRR (0.51) MMESLC7A5
Hydrochloric Acid SCHEMBL16816865 0.84 TPH1 (0.62) MAOBMMETPH1TPH2SLC13A5
Hydrochloric Acid SCHEMBL16816868 0.84 TPH1 (0.62) MAOBMMETPH1TPH2SLC13A5
SCHEMBL7345132 0.83 TPH1 (0.63) MAOBMMETPH1TPH2SLC13A5
SCHEMBL7345126 0.83 TPH1 (0.63) MAOBMMETPH1TPH2SLC13A5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030496-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7897783-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-11-27 US disclosed
EP-1857456-A1 PROCESS FOR PRODUCING COMPOUND WITH ANTI-HCV POTENCY AND INTERMEDIATE FOR USE THEREIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-21 EP 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 (3 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-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS MAOB 1002/4885MME 535/4885TPH1 2772/4885
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof HCCS, EIF2AK2, MAVS MAOB 1213/4885MME 1131/4885TPH1 3565/4885
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS MAOB 1002/4885MME 535/4885TPH1 2772/4885

“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.