SCHEMBL6913822

SCHEMBL6913822

Cc1ccc(CC#Cc2cc3c(=O)n(Cc4ccc(S(C)(=O)=O)cc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.41
PARG Q86W56 5/20 0.40
MMP13 P45452 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6724934 0.92 PARG (0.40) PTGDR2PARGMMP13SLC22A8PKM
SCHEMBL6472619 0.91 PARG (0.41) PTGDR2PARGMMP13SLC22A8PKM
SCHEMBL6916560 0.91 PARG (0.39) PTGDR2PARGMMP13SLC22A8PKM
SCHEMBL6526069 0.91 PARG (0.40) PTGDR2PARGMMP13SLC22A8PKM
SCHEMBL6524088 0.90 PARG (0.38) PTGDR2PARGMMP13SLC22A8PKM
SCHEMBL6724795 0.90 PARG (0.42) PARGMMP13SLC22A8PKMTDP1
SCHEMBL6727479 0.89 SRC (0.40) PTGDR2PARGMMP13SLC22A8PKM
SCHEMBL6734552 0.88 MMP13 (0.51) MMP13SLC22A8SMN1; SMN2TDP1ALDH1A1
SCHEMBL6735953 0.87 PARG (0.41) PARGMMP13SLC22A8
SCHEMBL6471873 0.86 ALDH1A1 (0.45) PTGDR2PARGMMP13SLC22A8PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
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 (2 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 PTGDR2 433/4885PARG 4614/4885MMP13 1/4885
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 PTGDR2 237/4885PARG 4024/4885MMP13 1/4885

“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.