SCHEMBL687408

SCHEMBL687408

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)ccn(Cc3ccc(Cl)cc3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CTSA P10619 2/20 0.41
CYP26A1 O43174 2/20 0.40
THRB P10828 1/20 0.40
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ITGB1 P05556 3/20 0.39
ITGA4 P13612 3/20 0.39
CNR2 P34972 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
SCHEMBL687511 0.96 MEN1 (0.46) KMT2AMEN1POLBCTSACYP26A1
SCHEMBL688110 0.92 MEN1 (0.49) KMT2AMEN1POLBLMNACTSA
SCHEMBL686919 0.92 GAA (0.45) KMT2AMEN1POLBLMNACTSA
SCHEMBL688413 0.91 POLB (0.40) KMT2AMEN1POLBLMNAHTT
SCHEMBL687932 0.90 EGLN1 (0.44) KMT2AMEN1POLBLMNAHTT
SCHEMBL688084 0.90 CYP26A1 (0.43) KMT2AMEN1POLBCYP26A1KEAP1
SCHEMBL688264 0.90 LCK (0.47) KMT2AMEN1POLBLMNACTSA
SCHEMBL687925 0.90 CYP26A1 (0.42) KMT2AMEN1POLBCTSACYP26A1
SCHEMBL688082 0.89 TP53 (0.41) KMT2AMEN1POLBCTSAALDH1A1
SCHEMBL687628 0.88 KMT2A (0.42) KMT2AMEN1LMNAHTTCTSA

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
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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 KMT2A 3959/4885MEN1 3955/4885POLB 4218/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KMT2A 3998/4885MEN1 3985/4885POLB 4518/4885

“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.