SCHEMBL6212062

SCHEMBL6212062

O=C(O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)ccc3n3cnnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.49
PPARG P37231 2/20 0.48
PTGER4 P35408 3/20 0.48
MAPT P10636 2/20 0.47
RORC P51449 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL6213121 0.91 MMP13 (0.49) MMP13PPARGMAPTRXFP1EPHX2
SCHEMBL6212954 0.89 MMP13 (0.60) MMP13PPARGPTGER4MAPTRXFP1
SCHEMBL6211147 0.85 TDP1 (0.43) MMP13PPARGMAPTRORCRXFP1
SCHEMBL6212605 0.85 PIK3CA (0.46) MMP13MAPTRXFP1KDM4EKDR
SCHEMBL6211828 0.85 PPARG (0.52) MMP13PPARGMAPTPOLB
SCHEMBL6213639 0.85 ALDH1A1 (0.52) MMP13MAPTRXFP1KDM4EKDR
SCHEMBL6212989 0.83 MMP13 (0.54) MMP13PPARGPTGER4MAPTRXFP1
SCHEMBL6214058 0.83 MMP13 (0.54) MMP13PPARGPTGER4MAPTRXFP1
SCHEMBL6213923 0.82 MMP13 (0.54) MMP13PPARGMAPTRXFP1POLB
SCHEMBL6214009 0.82 PPARG (0.46) MMP13PPARGMAPTRXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US claimed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 US claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US 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
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 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 (4 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885PPARG 1806/4885PTGER4 706/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885PPARG 497/4885PTGER4 401/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 MMP13 2/4885PPARG 3314/4885PTGER4 567/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885PPARG 891/4885PTGER4 134/4885

“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.