SCHEMBL7021132

SCHEMBL7021132

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.57
MMP13 P45452 4/20 0.47
PTGER4 P35408 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7038032 0.91 TRPA1 (0.56) TRPA1MMP13PTGER4SMN1; SMN2MAPT
SCHEMBL6430172 0.91 TRPA1 (0.48) TRPA1MMP13SMN1; SMN2MAPTRXFP1
SCHEMBL6728256 0.90 TRPA1 (0.56) TRPA1MMP13SMN1; SMN2MAPTNPSR1
SCHEMBL6728070 0.89 TRPA1 (0.46) TRPA1MMP13SMN1; SMN2MAPTPOLB
SCHEMBL6462371 0.89 MMP13 (0.52) TRPA1MMP13PTGER4MAPTRXFP1
SCHEMBL6465573 0.88 TRPA1 (0.46) TRPA1MMP13SMN1; SMN2SLC22A8
SCHEMBL6257259 0.88 TRPA1 (0.54) TRPA1MAPTPOLBRXFP1CYP1A2
SCHEMBL6462194 0.87 TRPA1 (0.43) TRPA1MMP13PTGER4CYP1A2CYP2D6
SCHEMBL7032080 0.87 CA2 (0.46) TRPA1SMN1; SMN2POLB
SCHEMBL6245168 0.86 TRPA1 (0.62) TRPA1SMN1; SMN2MAPTRXFP1CYP1A2

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 4 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-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 (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 3888/4885MMP13 1/4885PTGER4 1446/4885

“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.