SCHEMBL5396555

SCHEMBL5396555

O=C(N[C@H](Cc1ccc(F)cc1)C(=O)O)OCc1ccc2oc(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
MAOA P21397 2/20 0.51
FFAR1 O14842 3/20 0.47
ERAP1 Q9NZ08 2/20 0.46
GPR34 Q9UPC5 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TGM2 P21980 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGAV P06756 1/20 0.42
ACE P12821 1/20 0.42
TYR P14679 1/20 0.42
ITGA2B P08514 1/20 0.41

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
SCHEMBL5396560 1.00 MAOB (0.51) MAOBMAOAFFAR1ERAP1GPR34
SCHEMBL5416204 0.91 FFAR1 (0.55) FFAR1ERAP1ITGB3ITGAVTYR
SCHEMBL5395869 0.91 FFAR1 (0.55) FFAR1ERAP1ITGB3ITGAVTYR
SCHEMBL5404725 0.84 GPR34 (0.48) FFAR1GPR34ALDH1A1TGM2ITGB3
SCHEMBL5395493 0.84 GPR34 (0.48) FFAR1GPR34ALDH1A1TGM2ITGB3
SCHEMBL5395501 0.84 GPR34 (0.48) FFAR1GPR34ALDH1A1TGM2ITGB3
SCHEMBL5392292 0.83 FFAR1 (0.53) FFAR1ALDH1A1
SCHEMBL5396505 0.83 FFAR1 (0.53) FFAR1ALDH1A1
SCHEMBL5395369 0.82 GPR34 (0.51) GPR34ALDH1A1ITGB3ITGAVTYR
SCHEMBL5392105 0.82 GPR34 (0.51) GPR34ALDH1A1ITGB3ITGAVTYR

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-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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 (3 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-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR MAOB 2962/4885MAOA 3250/4885FFAR1 38/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MAOB 1652/4885MAOA 2383/4885FFAR1 3/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MAOB 1817/4885MAOA 2452/4885FFAR1 3/4885

“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.