SCHEMBL6214403

SCHEMBL6214403

COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3n3cnnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
POLB P06746 3/20 0.51
MAPT P10636 7/20 0.48
PPARG P37231 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL6210665 0.91 PPARG (0.54) ESR1POLBMAPTPPARGMEN1
SCHEMBL6211828 0.91 PPARG (0.52) ESR1POLBMAPTPPARGMEN1
SCHEMBL6212239 0.91 POLB (0.50) ESR1POLBMAPTPPARGMEN1
SCHEMBL6214959 0.89 ESR1 (0.48) ESR1POLBMAPTPPARGMEN1
SCHEMBL6213923 0.86 MMP13 (0.54) ESR1POLBMAPTPPARGMEN1
SCHEMBL6214009 0.86 PPARG (0.46) POLBMAPTPPARGRXFP1TP53
SCHEMBL6260659 0.84 ESR1 (0.59) ESR1POLBMAPTPPARGMEN1
SCHEMBL6212954 0.79 MMP13 (0.60) ESR1POLBMAPTPPARGMEN1
SCHEMBL6212989 0.79 MMP13 (0.54) ESR1POLBMAPTPPARGMEN1
SCHEMBL6213391 0.79 PPARG (0.54) ESR1POLBMAPTPPARGMEN1

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-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US claimed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 US claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 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-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-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 ESR1 848/4885POLB 3500/4885MAPT 2826/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 ESR1 3851/4885POLB 2444/4885MAPT 1345/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 ESR1 4128/4885POLB 1942/4885MAPT 4385/4885
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 ESR1 3956/4885POLB 3022/4885MAPT 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.