SCHEMBL6254657

SCHEMBL6254657

CCOCCOC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL6532396 0.99 TSHR (0.43) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL6533748 0.92 MMP13 (0.44) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL6526000 0.91 TSHR (0.43) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL6730103 0.91 TRPA1 (0.42) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL6529705 0.91 TSHR (0.53) TSHRHSD17B10MEN1KMT2AKDM4E
SCHEMBL6735464 0.90 KDM4E (0.44) TSHRHSD17B10KMT2AKDM4ETRPA1
SCHEMBL6258669 0.89 TSHR (0.49) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL6734162 0.89 TRPA1 (0.41) TSHRHSD17B10MEN1KMT2ARAB9A
SCHEMBL6730250 0.88 TSHR (0.47) TSHRHSD17B10MEN1KMT2AKDM4E
SCHEMBL6261236 0.88 TRPA1 (0.41) TSHRHSD17B10MEN1KMT2ARAB9A

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 12 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
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-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 (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 TSHR 3353/4885HSD17B10 504/4885MEN1 3056/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TSHR 3857/4885HSD17B10 231/4885MEN1 4353/4885
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 TSHR 4247/4885HSD17B10 193/4885MEN1 4110/4885

“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.