SCHEMBL687173

SCHEMBL687173

Cc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cccc(N(C)S(C)(=O)=O)c3)c1=O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 4/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
CYP26A1 O43174 1/20 0.31
PKM P14618 1/20 0.31
PYGL P06737 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL687752 0.92 MEN1 (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL686825 0.91 MEN1 (0.39) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL687844 0.90 MEN1 (0.37) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL687372 0.89 MEN1 (0.40) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL686847 0.88 CTSA (0.40) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL688106 0.88 KMT2A (0.41) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL687271 0.86 KMT2A (0.39) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL688537 0.85 KEAP1 (0.39) MEN1KMT2AHPGDALDH1A1CYP26A1
SCHEMBL687910 0.85 MEN1 (0.39) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL688395 0.85 MEN1 (0.37) MEN1KMT2AMAPTLMNAHPGD

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-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US claimed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 MEN1 3955/4885KMT2A 3959/4885MAPT 2314/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MEN1 3985/4885KMT2A 3998/4885MAPT 2566/4885

“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.