SCHEMBL6233697

SCHEMBL6233697

CC(c1ccc(C(=O)O)cc1)n1c(=O)[nH]c2sc(C(=O)NCc3ccc(F)cc3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
TRPA1 O75762 1/20 0.42
POLB P06746 1/20 0.42
MMP13 P45452 1/20 0.41
PTGER4 P35408 8/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGER2 P43116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MAPT P10636 1/20 0.37
B3GNT2 Q9NY97 1/20 0.37

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
SCHEMBL6239877 0.92 RXFP1 (0.41) RXFP1POLBPTGER4ALDH1A1KDM4E
SCHEMBL6236005 0.92 B3GNT2 (0.46) RXFP1TRPA1MMP13PTGER4ALDH1A1
SCHEMBL6232987 0.91 MAPT (0.48) RXFP1MMP13PTGER4ALDH1A1SMN1; SMN2
SCHEMBL6238348 0.91 DCLK1 (0.47) RXFP1PTGER4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6233970 0.90 TRPA1 (0.41) RXFP1TRPA1MMP13PTGER4ALDH1A1
SCHEMBL6238762 0.90 EPHX2 (0.41) RXFP1PTGER4ALDH1A1SMN1; SMN2EPHX2
SCHEMBL6236399 0.89 CA2 (0.42) EPHX2NR1H4
SCHEMBL6462193 0.88 MLYCD (0.40) MMP13PTGER4ALDH1A1KDM4EPTGER2
SCHEMBL6272724 0.88 NR1H4 (0.47) RXFP1SMN1; SMN2LMNAEPHX2NR1H4
SCHEMBL6232757 0.85 ROCK2 (0.41) MMP13PTGER4MAPT

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 8 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
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
EP-1287192-A1 METHOD FOR PRODUCING SYNTHETIC FIBRES FROM A FIBRE-FORMING POLYMER-BASED MELT BLEND Röhm GmbH & Co. KG (DE) 2003-03-05 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2001090454-A1 METHOD FOR PRODUCING SYNTHETIC FIBRES FROM A FIBRE-FORMING POLYMER-BASED MELT BLEND Röhm GmbH & Co. KG (DE) 2001-11-29 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 RXFP1 173/4885TRPA1 3888/4885POLB 966/4885

“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.