SCHEMBL3934601

SCHEMBL3934601

CC(C)c1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTGER3 P43115 3/20 0.41
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HMGCR P04035 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 2/20 0.35
CTSA P10619 2/20 0.34
CYP26A1 O43174 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL688189 0.94 MEN1 (0.43) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL688349 0.94 MEN1 (0.41) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL688610 0.93 MEN1 (0.44) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL687592 0.92 MEN1 (0.43) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL688444 0.92 MEN1 (0.43) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL687676 0.92 KMT2A (0.43) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL688098 0.92 MEN1 (0.45) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL688658 0.92 MEN1 (0.43) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL687013 0.91 MEN1 (0.43) MEN1KMT2APTGER3HPGDALDH1A1
SCHEMBL688345 0.90 MEN1 (0.41) MEN1KMT2APTGER3HPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567505-A4 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS SCHERING CORP (US) 2009-07-01 EP claimed
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 US claimed
EP-1567505-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004044046-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS (US) 2004-05-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds VCAM1, ITGB1, ICAM1 MEN1 2959/4885KMT2A 2439/4885PTGER3 2584/4885

“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.