SCHEMBL3677264

SCHEMBL3677264

COc1ccccc1-c1ccc(CCC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.66
SLC13A5 Q86YT5 1/20 0.64
MME P08473 1/20 0.62
MMEL1 Q495T6 1/20 0.62
FFAR4 Q5NUL3 7/20 0.61
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
PPARD Q03181 1/20 0.54
RXRA P19793 1/20 0.53
KEAP1 Q14145 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53

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
SCHEMBL7236617 0.91 SLC13A5 (0.62) FFAR1SLC13A5MMEMMEL1FFAR4
SCHEMBL12646406 0.87 SLC13A5 (0.56) FFAR1SLC13A5MMEMMEL1FFAR4
SCHEMBL7237789 0.86 FFAR1 (0.55) FFAR1SLC13A5MMEMMEL1FFAR4
SCHEMBL4207640 0.84 SLC13A5 (0.60) FFAR1SLC13A5MMEMMEL1PPARG
SCHEMBL3670702 0.84 FFAR1 (0.76) FFAR1FFAR4RXRA
SCHEMBL6490922 0.84 FFAR1 (0.58) FFAR1MMEMMEL1FFAR4PPARD
SCHEMBL7725124 0.84 FFAR1 (0.58) FFAR1MMEMMEL1FFAR4RXRA
SCHEMBL3992963 0.84 FFAR4 (0.78) FFAR1FFAR4
SCHEMBL3671932 0.83 FFAR1 (0.57) FFAR1FFAR4KEAP1ITGB1ITGA4
SCHEMBL7234489 0.83 FFAR4 (0.70) FFAR1MMEL1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 US 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-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

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 FFAR1 74/4885SLC13A5 1342/4885MME 2898/4885
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 FFAR1 6/4885SLC13A5 1348/4885MME 3446/4885

“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.