SCHEMBL2667033

SCHEMBL2667033

COC(=O)c1ccc(C(C)Cc2cc(OC)ccc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ DPP4 P27487 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PLAU P00749 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ HKDC1 Q2TB90 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
SCHEMBL27720296 0.91 CA1 (0.50) CA1CA2MMP1MMP2MMP3
SCHEMBL2655696 0.89 CA1 (0.47) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL2661179 0.75 MAPT (0.41) CA1CA2RAB9ASMN1; SMN2DPP4
SCHEMBL7753214 0.74 HPGD (0.46) HPGD
SCHEMBL18828099 0.73 CA1 (0.46) CA1CA2MMP1MMP2MMP3
SCHEMBL19313248 0.73 GAA (0.53) HPGD
SCHEMBL6976171 0.71 ABCB11 (0.44) HPGDMAPK1
SCHEMBL12879265 0.71 CA1 (0.47) CA1CA2NPC1RAB9APOLB
SCHEMBL22858346 0.70 ABCB11 (0.41) MAPT
SCHEMBL8254312 0.70 ALDH1A1 (0.51) POLBHPGDKMT2AMEN1ALDH1A1

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 3413/4885MMP1 3415/4885

“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.

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