Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3496790

COC(=O)C(CCCCN)NC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1.Cl

nearest known ligand 0.59

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
CA2 known ✓ P00918 1/20 0.45
ITGB3 known ✓ P05106 4/20 0.43
ITGA2B known ✓ P08514 4/20 0.43
ANPEP P15144 1/20 0.59
EPOR P19235 2/20 0.51
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
TLR2 O60603 2/20 0.46
LNPEP Q9UIQ6 2/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
SIRT3 Q9NTG7 2/20 0.46
CA1 P00915 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
ECE1 P42892 1/20 0.45

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 SCHEMBL3952162 0.85 SIRT2 (0.60) ANPEPCPB1CPB2TLR2SIRT2
Hydrochloric Acid SCHEMBL3952159 0.85 SIRT2 (0.60) ANPEPCPB1CPB2TLR2SIRT2
Hydrochloric Acid SCHEMBL6528872 0.85 SIRT2 (0.60) ANPEPCPB1CPB2TLR2SIRT2
SCHEMBL1840311 0.84 SIRT2 (0.61) ANPEPCPB1CPB2TLR2SIRT2
SCHEMBL6477219 0.84 SIRT2 (0.61) ANPEPCPB1CPB2TLR2SIRT2
SCHEMBL1840309 0.84 SIRT2 (0.61) ANPEPCPB1CPB2TLR2SIRT2
Hydrochloric Acid SCHEMBL29433727 0.82 ANPEP (0.54) ANPEPEPORCPB1CPB2TLR2
SCHEMBL14354855 0.82 CPB1 (0.50) ANPEPEPORCPB1CPB2TLR2
Hydrochloric Acid SCHEMBL6236103 0.81 SIRT2 (0.58) TLR2SIRT2SIRT1SIRT3CA1
Hydrochloric Acid SCHEMBL6236109 0.81 SIRT2 (0.58) TLR2SIRT2SIRT1SIRT3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104585-A1 Methods and Reagents for Regulation of Cellular Responses in Biological Systems WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-04-29 US disclosed
EP-1962894-A2 METHOD FOR ASSEMBLING A POLYMER-BIOLOGIC DELIVERY COMPOSITION Medivas, LLC (US) 2008-09-03 EP disclosed
US-20070160622-A1 Method for assembling a polymer-biologic delivery composition MEDIVAS, LLC (US) 2007-07-12 US disclosed
WO-2007067744-A2 METHOD FOR ASSEMBLING A POLYMER-BIOLOGIC DELIVERY COMPOSITION MEDIVAS, LLC (US) 2007-06-14 WO disclosed
US-20040248801-A1 Methods and reagents for regulation of cellular responses in biological systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-09 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 (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-20040248801-A1 Methods and reagents for regulation of cellular responses in biological systems HAVCR2, CASR, SRPRA CA2 1765/4885ITGB3 1202/4885ITGA2B 2053/4885
US-20100104585-A1 Methods and Reagents for Regulation of Cellular Responses in Biological Systems HAVCR2, CD4, CX3CR1 CA2 2718/4885ITGB3 362/4885ITGA2B 945/4885
US-20070160622-A1 Method for assembling a polymer-biologic delivery composition CD40, FCGR3B, TNFRSF9 CA2 763/4885ITGB3 2302/4885ITGA2B 1569/4885

“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.