SCHEMBL944766

SCHEMBL944766

COc1cc(CNC(=O)c2nc3scc(COCC4CCC(CS(C)(=O)=O)CC4)c3c(=O)[nH]2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.44
MMP10 P09238 6/20 0.44
MMP2 P08253 2/20 0.44
MMP8 P22894 7/20 0.43

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
SCHEMBL943811 0.96 MMP13 (0.43) MMP13MMP10MMP2MMP8
SCHEMBL943226 0.94 MMP13 (0.44) MMP13MMP10MMP2MMP8
SCHEMBL943356 0.92 MMP13 (0.43) MMP13MMP10MMP2MMP8
SCHEMBL943357 0.92 MMP13 (0.43) MMP13MMP10MMP2MMP8
SCHEMBL941805 0.92 MMP13 (0.43) MMP13MMP10MMP2MMP8
SCHEMBL942367 0.92 MMP13 (0.46) MMP13MMP10MMP2MMP8
SCHEMBL942615 0.92 MMP13 (0.46) MMP13MMP10MMP2MMP8
SCHEMBL944376 0.92 MMP13 (0.46) MMP13MMP10MMP2MMP8
SCHEMBL943380 0.91 MMP13 (0.44) MMP13MMP10MMP2MMP8
SCHEMBL941343 0.91 MMP13 (0.46) MMP13MMP10MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US claimed

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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 MMP13 2678/4885MMP10 3840/4885MMP2 3186/4885

“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.