SCHEMBL3671932

SCHEMBL3671932

COc1cccc(OC)c1-c1ccc(CCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.57
FFAR4 Q5NUL3 2/20 0.52
ITGB1 P05556 3/20 0.52
ITGA4 P13612 3/20 0.52
KEAP1 Q14145 1/20 0.50

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
SCHEMBL7228229 0.90 FFAR1 (0.53) FFAR1FFAR4ITGB1ITGA4
SCHEMBL3677264 0.83 FFAR1 (0.66) FFAR1FFAR4ITGB1ITGA4KEAP1
SCHEMBL7237789 0.81 FFAR1 (0.55) FFAR1FFAR4
SCHEMBL1746706 0.81 FFAR1 (0.80) FFAR1FFAR4
SCHEMBL7227968 0.80 FFAR1 (0.52) FFAR1FFAR4
SCHEMBL12087533 0.79 FFAR1 (0.75) FFAR1FFAR4KEAP1
SCHEMBL27637469 0.78 FFAR1 (0.59) FFAR1FFAR4
SCHEMBL5162726 0.78 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL7227087 0.78 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL30644928 0.77 FFAR1 (0.69) FFAR1FFAR4

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
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-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
WO-2000071572-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2000-11-30 WO 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 (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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 FFAR1 74/4885FFAR4 107/4885ITGB1 5/4885

“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.