SCHEMBL6232987

SCHEMBL6232987

COc1ccc(CNC(=O)c2cc3c(=O)n(C(C)c4ccc(C(=O)O)cc4)c(=O)[nH]c3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDR P35968 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 4/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CHRM4 P08173 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.43
HDAC1 Q13547 1/20 0.42
PTGER4 P35408 2/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
MMP10 P09238 1/20 0.41
MMP8 P22894 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6234877 0.93 MAPT (0.48) MAPTMEN1KMT2AKDRMAPKAPK2
SCHEMBL6234111 0.91 ROCK2 (0.49) MAPTKDRMAPKAPK2MMP13PTGER4
SCHEMBL6233697 0.91 RXFP1 (0.42) MAPTALDH1A1SMN1; SMN2MMP13RXFP1
SCHEMBL6272724 0.90 NR1H4 (0.47) MAPTMEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL6236005 0.90 B3GNT2 (0.46) MAPTMEN1KMT2AKDRRAB9A
SCHEMBL6239877 0.90 RXFP1 (0.41) MAPTMEN1KMT2AKDRMAPKAPK2
SCHEMBL6238348 0.88 DCLK1 (0.47) MAPTMAPKAPK2ALDH1A1SMN1; SMN2RXFP1
SCHEMBL6233970 0.88 TRPA1 (0.41) KDRMAPKAPK2ALDH1A1SMN1; SMN2MMP13
SCHEMBL6238762 0.88 EPHX2 (0.41) KDRALDH1A1SMN1; SMN2RXFP1PTGER4
SCHEMBL6240022 0.87 RXFP1 (0.49) MAPTMEN1KMT2AKDRMAPKAPK2

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-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
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-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
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
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 MAPT 4800/4885MEN1 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.