SCHEMBL6733536

SCHEMBL6733536

Cn1c(=O)n(CC(F)(F)F)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
HSD17B10 Q99714 6/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
TSHR P16473 3/20 0.41
ESR1 P03372 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
JAK2 O60674 2/20 0.38
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PSMD14 O00487 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL6733514 0.90 MMP13 (0.45) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6733541 0.89 MMP13 (0.42) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6257988 0.88 MMP13 (0.45) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6258180 0.88 MAPT (0.46) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6253141 0.88 MMP13 (0.45) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6252686 0.88 MMP13 (0.53) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6255169 0.88 KMT2A (0.46) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6468533 0.87 MMP13 (0.44) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6471338 0.87 MMP13 (0.44) MMP13HSD17B10KDM4EMAPTALDH1A1
SCHEMBL6255902 0.87 MMP13 (0.47) MMP13HSD17B10KDM4EMAPTALDH1A1

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 MMP13 1/4885HSD17B10 504/4885KDM4E 1577/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885HSD17B10 231/4885KDM4E 476/4885
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 MMP13 1/4885HSD17B10 193/4885KDM4E 559/4885

“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.