SCHEMBL6468075

SCHEMBL6468075

CSc1ccc(CNC(=O)c2ccc3[nH]c(=O)n(C(C)c4ccc(C(=O)O)cc4)c(=O)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.47
MMP13 P45452 2/20 0.45
RXFP1 Q9HBX9 3/20 0.43
NR1H4 Q96RI1 3/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 3/20 0.41
RORC P51449 1/20 0.40
BACE1 P56817 1/20 0.40
IMPDH2 P12268 1/20 0.40
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39

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
SCHEMBL7021536 0.91 B3GNT2 (0.45) B3GNT2RXFP1NR1H4EPHX2MAPT
SCHEMBL6236097 0.90 RXFP1 (0.51) B3GNT2MMP13RXFP1NR1H4MAPT
SCHEMBL6237752 0.90 B3GNT2 (0.49) B3GNT2MMP13RXFP1NR1H4EPHX2
SCHEMBL6239501 0.88 MEN1 (0.56) B3GNT2MMP13NR1H4MAPTSMN1; SMN2
SCHEMBL6432942 0.88 MAPK1 (0.46) B3GNT2MMP13RXFP1MAPTSMN1; SMN2
SCHEMBL6259249 0.83 KDM4E (0.55) MMP13MAPTKDM4EALDH1A1GAA
SCHEMBL6238807 0.83 ADORA3 (0.46) B3GNT2MMP13RXFP1NR1H4MAPT
SCHEMBL6467722 0.82 MMP13 (0.56) MMP13MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6232314 0.82 B3GNT2 (0.46) B3GNT2RXFP1NR1H4EPHX2MAPT
Choline SCHEMBL7021461 0.81 MEN1 (0.49) B3GNT2MMP13NR1H4MAPTSMN1; SMN2

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
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 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-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
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 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 B3GNT2 1313/4885MMP13 1/4885RXFP1 83/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 B3GNT2 2950/4885MMP13 1/4885RXFP1 1780/4885
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 B3GNT2 3308/4885MMP13 1/4885RXFP1 1455/4885

“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.