SCHEMBL2667003

SCHEMBL2667003

COc1ccc(Br)c(CCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGER2 P43116 10/20 0.49
PTGER4 P35408 9/20 0.49
KDM4E B2RXH2 1/20 0.49
CCR6 P51684 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
PLA2G4B P0C869 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL12243323 0.82 CA1 (0.77) CA1CA2NPC1POLBRAB9A
SCHEMBL7551792 0.80 ADRA1A (0.48) HTR1ASLC6A4
SCHEMBL9037504 0.78 POLB (0.65) POLBKDM4EALDH1A1
SCHEMBL7918992 0.78 AKR1C3 (0.54) POLBRAB9AKDM4E
SCHEMBL2655696 0.77 CA1 (0.47) CA1CA2NPC1POLBRAB9A
SCHEMBL11687077 0.77 CA1 (0.54) CA1CA2NPC1POLBRAB9A
SCHEMBL8406718 0.77 ABCB1 (0.63) NPC1POLBRAB9ASMN1; SMN2PTGER2
SCHEMBL5093232 0.76 AURKA (0.49) PTGER4
SCHEMBL13647141 0.76 POLB (0.50) NPC1POLBRAB9ASMN1; SMN2KDM4E
SCHEMBL30839903 0.76 POLB (0.50) NPC1POLBRAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 US disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 WO 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 (1 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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 CA1 4824/4885CA2 3413/4885NPC1 257/4885

“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.