Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2728

CC(C)[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(=O)OCc1ccccc1.Cl

nearest known ligand 0.47

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 20)

geneUniProtsupporting neighboursconfidence
ESR2 known ✓ Q92731 1/20 0.41
AVPR1A known ✓ P37288 1/20 0.40
MMP13 known ✓ P45452 1/20 0.39
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
PTPN1 P18031 1/20 0.45
MME P08473 1/20 0.43
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
CTSD P07339 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
OXTR P30559 1/20 0.40
ADAM17 P78536 1/20 0.40

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
Hydrochloric Acid SCHEMBL3473569 1.00 FFAR1 (0.47) FFAR1AKR1B1PTPN1MMECTSL
SCHEMBL14004740 0.99 FFAR1 (0.48) FFAR1AKR1B1PTPN1MMECTSL
SCHEMBL2317 0.99 FFAR1 (0.48) FFAR1AKR1B1PTPN1MMECTSL
SCHEMBL8813467 0.89 FFAR1 (0.44) FFAR1AKR1B1PTPN1MMECTSL
Hydrochloric Acid SCHEMBL15663201 0.89 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC
Hydrochloric Acid SCHEMBL3526296 0.89 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL2565791 0.89 FFAR1 (0.43) FFAR1AKR1B1PTPN1MMECTSL
Hydrochloric Acid SCHEMBL3412065 0.89 CTSB (0.41) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL8065614 0.88 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL2432 0.88 MYC (0.45) FFAR1AKR1B1PTPN1MMEMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
US-7943794-B2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES LIMITED (IN) 2011-05-17 US disclosed
EP-2260018-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-15 EP disclosed
US-20100048654-A1 USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION NOVARTIS PHARMACEUTICALS CORPORATION 2010-02-25 US disclosed
WO-2009125416-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-15 WO disclosed
EP-2090567-A2 Processes for the preparation of intermediates of valsartan RANBAXY LABORATORIES, LTD. (IN) 2009-08-19 EP disclosed
US-20090203921-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
US-20060281801-A1 Process for the preparation of valsartan and its intermediates IPCA LABORATORIES LIMITED (IN) 2006-12-14 US disclosed
EP-1714963-A1 Process for the Preparation of Valsartan and its Intermediates IPCA Laboratories Limited (IN) 2006-10-25 EP disclosed
EP-1505965-B1 USE OF THE METABOLITE OF VALSARTAN TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2006-08-02 EP disclosed
WO-2005049588-A1 PROCESS FOR ISOLATION OF VALSARTAN RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed
EP-1505965-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION Novartis AG (CH) 2005-02-16 EP disclosed
WO-2003094915-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2003-11-20 WO disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 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 (4 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-20060281801-A1 Process for the preparation of valsartan and its intermediates ACE, REN, AGT ESR2 4164/4885AVPR1A 44/4885MMP13 1675/4885
US-20100048654-A1 USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION PDGFRA, PLAT, PTAFR ESR2 2647/4885AVPR1A 362/4885MMP13 238/4885
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE REN, AGT, ACE ESR2 4761/4885AVPR1A 7/4885MMP13 1011/4885
US-20090203921-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF VALSARTAN REN, AGT, ACE ESR2 4241/4885AVPR1A 5/4885MMP13 2057/4885

“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.