SCHEMBL687950

SCHEMBL687950

CCOc1cccc(Cl)c1Cn1cc(C)c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc3c(ccn3C)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSA P10619 4/20 0.33
KMT2A Q03164 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PDE4A P27815 1/20 0.30
PDE7A Q13946 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
SCHEMBL687366 0.95 CTSA (0.37) SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1
SCHEMBL688327 0.91 SLC22A12 (0.34) NOTUMITGB1ITGA4KDM4EALDH1A1
SCHEMBL688386 0.90 SMN1; SMN2 (0.40) SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1
SCHEMBL687907 0.89 SMN1; SMN2 (0.38) SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1
SCHEMBL688330 0.88 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1CTSAKMT2A
SCHEMBL686989 0.88 SMN1; SMN2 (0.38) SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1
SCHEMBL687715 0.87 CTSA (0.39) SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1
SCHEMBL687687 0.86 PTGER3 (0.38) NOTUMITGB1ITGA4SLC22A12
SCHEMBL687119 0.86 SMN1; SMN2 (0.36) SMN1; SMN2ITGB1ITGA4KDM4EALDH1A1
SCHEMBL687631 0.86 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1CTSAKMT2A

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
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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 SMN1; SMN2 2958/4885NOTUM 2235/4885ITGB1 5/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885NOTUM 1823/4885ITGB1 7/4885

“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.