SCHEMBL6727947

SCHEMBL6727947

Cn1c(=O)n(CC2CCCCC2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.41
TSHR P16473 5/20 0.41
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 3/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MMP13 P45452 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
NPC1 O15118 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL6254402 0.97 GPBAR1 (0.41) MAPK8TSHRALDH1A1NPSR1PLA2G1B
SCHEMBL6259638 0.87 HSD17B10 (0.42) TSHRALDH1A1MMP13HSD17B10KDM4E
SCHEMBL6908252 0.86 CYP1A2 (0.47) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL6724777 0.85 TSHR (0.40) TSHRALDH1A1NPSR1MMP13HSD17B10
SCHEMBL6252686 0.84 MMP13 (0.53) TSHRALDH1A1MMP13HSD17B10KDM4E
SCHEMBL6733514 0.84 MMP13 (0.45) TSHRALDH1A1MMP13HSD17B10KDM4E
SCHEMBL6253141 0.84 MMP13 (0.45) TSHRALDH1A1MMP13HSD17B10KDM4E
SCHEMBL6257988 0.84 MMP13 (0.45) TSHRALDH1A1MMP13HSD17B10KDM4E
SCHEMBL6258180 0.84 MAPT (0.46) TSHRALDH1A1NPSR1MMP13HSD17B10
SCHEMBL6255169 0.84 KMT2A (0.46) TSHRALDH1A1MMP13HSD17B10KDM4E

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
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
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 (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 MAPK8 1907/4885TSHR 3353/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPK8 1224/4885TSHR 3857/4885ALDH1A1 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 MAPK8 1886/4885TSHR 4247/4885ALDH1A1 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.