SCHEMBL6533260

SCHEMBL6533260

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCCCc3cccnc3)sc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
HIF1A Q16665 3/20 0.46
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
BLM P54132 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 2/20 0.40
MAPT P10636 1/20 0.40
PARG Q86W56 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL6734162 0.91 TRPA1 (0.41) TRPA1ALDH1A1NPSR1MAPK1LMNA
SCHEMBL6445993 0.89 HIF1A (0.53) TRPA1HIF1AALDH1A1NPSR1MAPK1
SCHEMBL6255943 0.88 HIF1A (0.48) TRPA1HIF1AALDH1A1NPSR1MAPK1
SCHEMBL6724545 0.86 TRPA1 (0.48) TRPA1ALDH1A1NPSR1MAPK1LMNA
SCHEMBL6725010 0.86 TRPA1 (0.47) TRPA1HIF1AMEN1KMT2APARG
SCHEMBL6258669 0.85 TSHR (0.49) TRPA1ALDH1A1NPSR1MAPK1LMNA
SCHEMBL6730103 0.85 TRPA1 (0.42) TRPA1ALDH1A1MEN1KMT2APKM
SCHEMBL6260826 0.85 HDAC1 (0.44) ALDH1A1MAPK1LMNAPKMMAPT
SCHEMBL6730250 0.85 TSHR (0.47) TRPA1ALDH1A1NPSR1MAPK1LMNA
SCHEMBL6735464 0.84 KDM4E (0.44) TRPA1ALDH1A1KMT2AMAPTTSHR

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
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US 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 (3 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 3888/4885HIF1A 2757/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885HIF1A 3489/4885ALDH1A1 1764/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 671/4885HIF1A 2939/4885ALDH1A1 878/4885

“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.