SCHEMBL2382268

SCHEMBL2382268

CCC(C)OP(=O)(O)CCCC=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
PLA2G2C Q5R387 1/20 0.32
LPAR3 Q9UBY5 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL2382813 0.89 AOX1 (0.33)
SCHEMBL2957702 0.85 LPAR3 (0.39) TSHRMAPTLPAR3MMP1MMP2
SCHEMBL779433 0.82 TRPM8 (0.45) LPAR3
SCHEMBL4158403 0.80 PPARD (0.39) PLA2G2CMMP1MMP2MMP3
SCHEMBL2955744 0.79 LPAR3 (0.44) TSHRMAPTPLA2G2CLPAR3
SCHEMBL14890431 0.79 LPAR3 (0.50) LPAR3
SCHEMBL16427895 0.79 LPAR3 (0.50) LPAR3
SCHEMBL2150294 0.79 LPAR3 (0.50) LPAR3
SCHEMBL10799957 0.79 LPAR3 (0.50) LPAR3
SCHEMBL864318 0.79 CYP1A2 (0.47) TSHRPLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362731-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-8329914-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2012-12-11 US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 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-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 TSHR 3412/4885MAPT 4011/4885PLA2G2C 3580/4885

“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.