SCHEMBL688067

SCHEMBL688067

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)nn(Cc3c(Cl)cccc3OCC)c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
CYP26A1 O43174 2/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
XBP1 P17861 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
RAB9A P51151 1/20 0.34
CTSA P10619 1/20 0.34
FFAR2 O15552 1/20 0.34
ATM Q13315 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
SCHEMBL687275 0.95 SMN1; SMN2 (0.37) SLC22A12SMN1; SMN2CYP26A1FFAR1LMNA
SCHEMBL687875 0.91 CTSA (0.40) SLC22A12SMN1; SMN2CYP26A1CTSA
SCHEMBL687999 0.90 SLC16A3 (0.42) SMN1; SMN2CYP26A1FFAR1LMNATP53
SCHEMBL686989 0.86 SMN1; SMN2 (0.38) SLC22A12SMN1; SMN2FFAR1MEN1KMT2A
SCHEMBL686800 0.86 PPARG (0.41) SMN1; SMN2FFAR1KMT2ACYP3A4CTSA
SCHEMBL687970 0.86 SMN1; SMN2 (0.41) SMN1; SMN2FFAR1LMNAHTTMEN1
SCHEMBL27741947 0.86 SMN1; SMN2 (0.41) SMN1; SMN2FFAR1LMNAHTTMEN1
SCHEMBL688875 0.85 SMN1; SMN2 (0.37) SMN1; SMN2FFAR1KMT2ACYP3A4CTSA
SCHEMBL688331 0.84 SMN1; SMN2 (0.38) SMN1; SMN2CYP26A1FFAR1KMT2ACYP2C9
SCHEMBL686977 0.84 SLC16A3 (0.42) SMN1; SMN2CYP26A1LMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC22A12 2041/4885SMN1; SMN2 2958/4885CYP26A1 872/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SLC22A12 1724/4885SMN1; SMN2 2960/4885CYP26A1 936/4885

“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.