SCHEMBL5406709

SCHEMBL5406709

O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 4/20 0.59
GPR34 Q9UPC5 2/20 0.48
ITGA4 P13612 3/20 0.48
ITGB7 P26010 3/20 0.48
ITGB1 P05556 2/20 0.48
TACR1 P25103 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TYR P14679 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL5406703 1.00 HPSE (0.59) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5414976 0.97 HPSE (0.55) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5414974 0.97 HPSE (0.55) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5398947 0.94 HPSE (0.57) HPSEITGA4ITGB7ITGB1TACR1
SCHEMBL5395595 0.94 HPSE (0.57) HPSEITGA4ITGB7ITGB1TACR1
SCHEMBL5404793 0.93 HPSE (0.57) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5404788 0.93 HPSE (0.57) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5404720 0.92 HPSE (0.51) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5404730 0.92 HPSE (0.51) HPSEGPR34ITGA4ITGB7ITGB1
SCHEMBL5401192 0.87 HPSE (0.50) HPSEGPR34ITGA4ITGB7ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-1241909-C Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN claimed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US claimed
CN-1418187-A Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2003-05-14 CN claimed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP claimed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US claimed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO claimed
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
CN-1241909-C Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN 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
CN-1418187-A Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2003-05-14 CN 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 HPSE 4167/4885GPR34 135/4885ITGA4 2276/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 HPSE 3244/4885GPR34 162/4885ITGA4 2982/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 HPSE 3259/4885GPR34 138/4885ITGA4 3004/4885

“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.