SCHEMBL6732802

SCHEMBL6732802

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TRPA1 O75762 1/20 0.40
MAPK8 P45983 1/20 0.40
CYP3A4 P08684 1/20 0.39
MMP13 P45452 1/20 0.39
GSK3B P49841 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
SCHEMBL6730250 0.99 TSHR (0.47) TSHRLMNAMAPK1NPSR1TP53
SCHEMBL6258669 0.96 TSHR (0.49) TSHRLMNAMAPK1NPSR1TP53
SCHEMBL6526000 0.92 TSHR (0.43) TSHRLMNAMAPK1NPSR1MAPT
SCHEMBL6734162 0.90 TRPA1 (0.41) TSHRLMNAMAPK1NPSR1MAPT
SCHEMBL6730103 0.88 TRPA1 (0.42) TSHRMAPTALDH1A1HSD17B10MEN1
SCHEMBL6529705 0.88 TSHR (0.53) TSHRLMNAMAPK1POLBMAPT
SCHEMBL6727754 0.88 SCN1A (0.44) TSHRLMNAMAPK1NPSR1TP53
SCHEMBL6254657 0.87 TSHR (0.44) TSHRLMNAMAPK1TP53POLB
SCHEMBL6735464 0.87 KDM4E (0.44) TSHRMAPTALDH1A1HSD17B10KMT2A
SCHEMBL6532396 0.86 TSHR (0.43) TSHRLMNAMAPK1TP53POLB

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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
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
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 3353/4885LMNA 1210/4885MAPK1 1365/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TSHR 3857/4885LMNA 4372/4885MAPK1 1029/4885
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 4247/4885LMNA 4296/4885MAPK1 915/4885

“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.