SCHEMBL6243124

SCHEMBL6243124

CCn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
HDAC1 Q13547 5/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
TSHR P16473 3/20 0.51
KMT2A Q03164 2/20 0.51
MAPK8 P45983 1/20 0.51
PARG Q86W56 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
PPARG P37231 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7016312 0.89 MAPT (0.50) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL17434512 0.88 KDM4E (0.55) ALDH1A1HPGDTSHRKMT2APARG
SCHEMBL6518639 0.87 KDM4E (0.62) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6241073 0.86 MMP13 (0.71) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6529188 0.83 TP53 (0.52) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL7622582 0.79 USP2 (0.61) HPGDTSHRKMT2AMAPTTP53
SCHEMBL6747349 0.79 MMP13 (0.62) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL7012936 0.78 MMP13 (0.61) MMP13SLC22A8HDAC1HDAC6HPGD
SCHEMBL6735741 0.78 MMP13 (0.60) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL28288132 0.77 ALDH1A1 (0.48) ALDH1A1HPGDTSHRKMT2AKDM4E

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 10 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-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 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
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (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 (5 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 315/4885HDAC1 550/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SLC22A8 1655/4885HDAC1 370/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MMP13 1/4885SLC22A8 1442/4885HDAC1 205/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 255/4885HDAC1 435/4885
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 2/4885SLC22A8 147/4885HDAC1 368/4885

“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.