SCHEMBL5095002

SCHEMBL5095002

CCOC(=O)c1ccc(C(O)c2cccc(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL6313233 0.84 MEN1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL1865894 0.80 CYP4F2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL245137 0.79 KDM4E (0.65) CA12CA1CA2CA7CA9
SCHEMBL29627840 0.79 KDM4E (0.65) CA12CA1CA2CA7CA9
SCHEMBL1632280 0.78 TSHR (0.42) CYP3A4KDM4EMAPK1TDP1L3MBTL1
SCHEMBL5090023 0.78 SRD5A2 (0.53) CA12CA1CA2CA9CA14
SCHEMBL6533202 0.78 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1539284 0.77 L3MBTL1 (0.46) LMNAL3MBTL1MEN1KMT2A
SCHEMBL27796403 0.77 MMP8 (0.45) LMNAKDM4EMAPK1L3MBTL1TSHR
SCHEMBL22242513 0.76 MMP8 (0.47) LMNAKDM4EMAPK1TSHRMAPT

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 2 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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 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 (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 CA12 4248/4885CA1 4824/4885CA2 3413/4885

“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.