SCHEMBL6735741

SCHEMBL6735741

CCn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.60
PPARG P37231 1/20 0.56
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
PTGER4 P35408 2/20 0.54
HDAC1 Q13547 2/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
POLB P06746 1/20 0.51
ROCK2 O75116 1/20 0.50

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
SCHEMBL7621394 0.93 MAPT (0.54) MMP13PPARGMAPTSMN1; SMN2KDM4E
SCHEMBL6259580 0.90 MMP13 (0.61) MMP13PPARGMAPTKDM4EPTGER4
SCHEMBL6234634 0.85 MMP13 (0.58) MMP13PPARGMAPTSMN1; SMN2KDM4E
SCHEMBL6246256 0.84 MAPT (0.58) MMP13PPARGMAPTSMN1; SMN2KDM4E
SCHEMBL7625900 0.84 ALDH1A1 (0.50) PPARGMAPTSMN1; SMN2KDM4EPTGER4
SCHEMBL6724632 0.83 MMP13 (0.53) MMP13PPARGMAPTSMN1; SMN2KDM4E
SCHEMBL6463989 0.82 MMP13 (0.55) MMP13PPARGMAPTSMN1; SMN2KDM4E
SCHEMBL7625585 0.82 MMP13 (0.53) MMP13PPARGMAPTSMN1; SMN2PTGER4
SCHEMBL6212954 0.81 MMP13 (0.60) MMP13PPARGMAPTPTGER4SLC22A8
SCHEMBL6255321 0.81 MAPT (0.54) MMP13PPARGMAPTSMN1; SMN2KDM4E

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-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885PPARG 3301/4885MAPT 4823/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885PPARG 497/4885MAPT 1345/4885
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 1/4885PPARG 680/4885MAPT 1774/4885

“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.