SCHEMBL7018282

SCHEMBL7018282

Cn1c(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)c2cc(C(=O)NCc3ccc(Br)cc3)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 5/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
BACE1 P56817 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK8 P45983 1/20 0.38
TSHR P16473 1/20 0.38
HDAC1 Q13547 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
STAT6 P42226 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
RHEB Q15382 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL6724803 0.89 EPHX2 (0.45) TRPA1SMN1; SMN2MAPTRXFP1MAPK8
SCHEMBL6463466 0.88 TSHR (0.45) SMN1; SMN2MAPTRXFP1TP53BACE1
SCHEMBL6430172 0.88 TRPA1 (0.48) TRPA1SMN1; SMN2MAPTRXFP1MEN1
SCHEMBL6254839 0.86 TRPA1 (0.56) TRPA1SMN1; SMN2MAPTRXFP1MEN1
SCHEMBL6735506 0.84 MAPT (0.41) TRPA1SMN1; SMN2MAPTRXFP1TP53
SCHEMBL7017377 0.82 MAPT (0.52) TRPA1SMN1; SMN2MAPTRXFP1TP53
SCHEMBL6245168 0.80 TRPA1 (0.62) TRPA1SMN1; SMN2MAPTRXFP1ALDH1A1
SCHEMBL7038032 0.79 TRPA1 (0.56) TRPA1SMN1; SMN2MAPTRXFP1TP53
SCHEMBL6462371 0.79 MMP13 (0.52) TRPA1MAPTRXFP1HDAC1HDAC8
SCHEMBL7021132 0.79 TRPA1 (0.57) TRPA1SMN1; SMN2MAPTRXFP1HDAC1

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 6 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-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 TRPA1 3888/4885SMN1; SMN2 2160/4885MAPT 4800/4885

“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.