SCHEMBL6236005

SCHEMBL6236005

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MARK3 P27448 1/20 0.44
MAPK1 P28482 1/20 0.44
AXL P30530 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL6233697 0.92 RXFP1 (0.42) B3GNT2SMN1; SMN2TRPA1PTGER4RXFP1
SCHEMBL6239877 0.91 RXFP1 (0.41) B3GNT2MEN1KMT2ASMN1; SMN2KDR
SCHEMBL6232987 0.90 MAPT (0.48) MEN1KMT2ASMN1; SMN2RAB9AKDR
SCHEMBL6238348 0.90 DCLK1 (0.47) B3GNT2SMN1; SMN2PRKD3MAP4K4CHEK2
SCHEMBL6233970 0.90 TRPA1 (0.41) SMN1; SMN2KDRTRPA1PTGER4RXFP1
SCHEMBL6238762 0.89 EPHX2 (0.41) B3GNT2SMN1; SMN2KDRMAPK8MAPK9
SCHEMBL6236399 0.88 CA2 (0.42) MEN1KMT2AEPHX2
SCHEMBL6272724 0.87 NR1H4 (0.47) MEN1KMT2ASMN1; SMN2RXFP1MAPT
SCHEMBL6462193 0.86 MLYCD (0.40) PTGER4MMP13PTGER2CYP1A2CYP2C19
SCHEMBL6234111 0.84 ROCK2 (0.49) PLK4AURKAPDPK1DYRK3PRKD3

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 10 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
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
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 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
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 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
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

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 B3GNT2 728/4885MEN1 3056/4885KMT2A 1976/4885

“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.