SCHEMBL6527743

SCHEMBL6527743

COc1cccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)n3C)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
MMP13 P45452 8/20 0.62
PPARG P37231 1/20 0.58
ROCK2 O75116 3/20 0.56
SLC22A8 Q8TCC7 1/20 0.55
PTGER4 P35408 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6255550 0.93 MAPT (0.61) MAPTMMP13PPARGROCK2SMN1; SMN2
SCHEMBL6736771 0.93 MAPT (0.61) MAPTMMP13PPARGROCK2SMN1; SMN2
SCHEMBL6255332 0.92 MMP13 (0.63) MAPTMMP13PPARGROCK2SMN1; SMN2
SCHEMBL7014327 0.91 MAPT (0.58) MAPTMMP13PPARGROCK2PTGER4
SCHEMBL6259580 0.91 MMP13 (0.61) MAPTMMP13PPARGSLC22A8PTGER4
SCHEMBL6246256 0.89 MAPT (0.58) MAPTMMP13PPARGSLC22A8SMN1; SMN2
SCHEMBL7095851 0.89 MMP13 (0.65) MAPTMMP13PPARGSLC22A8SMN1; SMN2
SCHEMBL6258761 0.89 MAPT (0.58) MAPTMMP13PPARGROCK2SMN1; SMN2
SCHEMBL7625585 0.89 MMP13 (0.53) MAPTMMP13PPARGSLC22A8PTGER4
SCHEMBL6468114 0.88 MMP13 (0.67) MAPTMMP13ROCK2SLC22A8PTGER4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
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
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

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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MAPT 4823/4885MMP13 1/4885PPARG 3301/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885MMP13 1/4885PPARG 497/4885

“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.