SCHEMBL6465609

SCHEMBL6465609

CC(C1CCNCC1)n1c(=O)[nH]c2sc(C(=O)OCc3ccccc3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.43
PLAT P00750 1/20 0.40
EZH2 Q15910 1/20 0.37
MMP13 P45452 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
ELANE P08246 5/20 0.35
HTR2C P28335 1/20 0.34
ADORA2B P29275 1/20 0.34
AADAT Q8N5Z0 1/20 0.34

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
SCHEMBL6907524 0.79 MMP13 (0.38) MMP13ELANEADORA2B
SCHEMBL6472223 0.78 AAK1 (0.41) MMP13
SCHEMBL6471090 0.77 MMP13 (0.36) MMP13ELANE
SCHEMBL6258644 0.76 MMP13 (0.54) MMP13
SCHEMBL7145713 0.75 MMP13 (0.43) MMP13
SCHEMBL6913504 0.75 MMP13 (0.39) MMP13GPBAR1ADORA2B
SCHEMBL6473178 0.72 KDM4E (0.49) MMP13
SCHEMBL6259959 0.71 MMP13 (0.49) MMP13
SCHEMBL6736337 0.71 GCGR (0.41) MMP13
SCHEMBL6252407 0.71 MMP13 (0.45) MMP13

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 5 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
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-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
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 (2 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 NMT1 544/4885PLAT 393/4885EZH2 1394/4885
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 NMT1 2522/4885PLAT 373/4885EZH2 1169/4885

“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.