SCHEMBL6464565

SCHEMBL6464565

COc1ccc(CNC(=O)c2cnc3c(c2)c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)n3C)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.60
SLC22A8 Q8TCC7 1/20 0.56
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
PAX8 Q06710 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGER4 P35408 2/20 0.51
POLB P06746 1/20 0.48
PDE1B Q01064 1/20 0.47
PPARG P37231 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KDM1A O60341 1/20 0.47
HDAC1 Q13547 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
SCHEMBL6518748 0.93 MMP13 (0.54) MMP13SLC22A8MAPTLMNAMITF
SCHEMBL6509576 0.91 MAPT (0.56) MMP13SLC22A8MAPTLMNAMITF
SCHEMBL6258768 0.89 MMP13 (0.50) MMP13SLC22A8MAPTLMNAMITF
SCHEMBL6259580 0.86 MMP13 (0.61) MMP13SLC22A8MAPTALDH1A1PTGER4
SCHEMBL6364247 0.84 MMP13 (0.65) MMP13SLC22A8MAPTALDH1A1L3MBTL1
SCHEMBL6234634 0.82 MMP13 (0.58) MMP13MAPTLMNAALDH1A1POLB
SCHEMBL6462371 0.81 MMP13 (0.52) MMP13SLC22A8MAPTPTGER4HDAC1
SCHEMBL6246256 0.81 MAPT (0.58) MMP13SLC22A8MAPTPPARGHDAC1
SCHEMBL6735741 0.80 MMP13 (0.60) MMP13SLC22A8MAPTMAPK1PTGER4
SCHEMBL6724632 0.79 MMP13 (0.53) MMP13MAPTLMNAALDH1A1POLB

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 9 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-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
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 (6 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 315/4885MAPT 4823/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SLC22A8 1655/4885MAPT 2826/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MMP13 1/4885SLC22A8 1442/4885MAPT 2607/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 255/4885MAPT 1438/4885
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 123/4885MAPT 1774/4885
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 147/4885MAPT 1677/4885

“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.