SCHEMBL6364247

SCHEMBL6364247

COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=O)O)cc4)c(=O)n(C)c3cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.65
SLC22A8 Q8TCC7 2/20 0.65
PTGER4 P35408 2/20 0.51
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6295571 0.93 MMP13 (0.56) MMP13SLC22A8MAPTALDH1A1CYP1A2
SCHEMBL6468114 0.92 MMP13 (0.67) MMP13SLC22A8PTGER4MAPT
SCHEMBL6428872 0.90 MMP13 (0.53) MMP13SLC22A8MAPTALDH1A1CYP1A2
SCHEMBL6256740 0.88 MMP13 (0.51) MMP13SLC22A8MAPTALDH1A1CYP1A2
SCHEMBL6259580 0.87 MMP13 (0.61) MMP13SLC22A8PTGER4MAPTALDH1A1
SCHEMBL7100732 0.86 PIK3CD (0.51) MMP13SLC22A8MAPTALDH1A1L3MBTL1
SCHEMBL6464565 0.84 MMP13 (0.60) MMP13SLC22A8PTGER4MAPTALDH1A1
SCHEMBL7104026 0.83 MMP13 (0.48) MMP13SLC22A8MAPTALDH1A1CYP1A2
SCHEMBL7104020 0.83 MMP13 (0.48) MMP13SLC22A8MAPTALDH1A1CYP1A2
SCHEMBL6234634 0.82 MMP13 (0.58) MMP13MAPTALDH1A1POLB

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-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 claimed
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 claimed
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 claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
US-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors WARNER-LAMBERT COMPANY LLC 2005-04-21 US disclosed
WO-2005016926-A1 PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-24 WO disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 315/4885PTGER4 579/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MMP13 1/4885SLC22A8 1442/4885PTGER4 690/4885
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 1/4885SLC22A8 123/4885PTGER4 181/4885
US-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 2982/4885PTGER4 221/4885

“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.