SCHEMBL6730190

SCHEMBL6730190

COc1cccc(CC#Cc2cc3c(=O)n(C(C)c4ccc(C(=O)O)cc4)c(=O)[nH]c3s2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.40
PTGER4 P35408 7/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
HCAR3 P49019 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGER2 P43116 1/20 0.34

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
SCHEMBL6736372 0.91 MMP13 (0.43) MMP13PTGER4ALDH1A1TAS2R14SLC22A8
SCHEMBL6471042 0.89 MMP13 (0.36) MMP13PTGER4TAS2R14SLC22A8PTGES
SCHEMBL6461412 0.89 MMP13 (0.36) MMP13PTGER4SLC22A8PTGESPTGER2
SCHEMBL6913360 0.89 PTGER4 (0.41) MMP13PTGER4SLC22A8PTGER2
SCHEMBL6471978 0.89 MMP13 (0.36) MMP13PTGER4TAS2R14SLC22A8PTGER2
SCHEMBL6730251 0.87 MMP13 (0.35) MMP13SLC22A8
SCHEMBL6467750 0.86 MMP13 (0.36) MMP13SLC22A8
SCHEMBL6912473 0.85 MMP13 (0.38) MMP13PTGER4SLC22A8
SCHEMBL6916599 0.85 MMP13 (0.38) MMP13PTGER4ALDH1A1SLC22A8PTGER2
SCHEMBL7035441 0.85 MMP13 (0.35) MMP13PTGER4ALDH1A1GAASLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (3 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885PTGER4 1446/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885PTGER4 401/4885ALDH1A1 1764/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885PTGER4 181/4885ALDH1A1 878/4885

“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.