SCHEMBL5397012

SCHEMBL5397012

O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.64
ITGA2B P08514 11/20 0.64
TACR1 P25103 2/20 0.60
CTSL P07711 2/20 0.59
CTSB P07858 2/20 0.59
CTSS P25774 2/20 0.59
CTSK P43235 2/20 0.59
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
ITGAV P06756 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL219151 0.89 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL479010 0.89 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL26661077 0.89 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.89 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7372270 0.89 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL18193708 0.89 ITGB3 (0.62) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL18920606 0.89 TACR1 (0.66) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL8438830 0.89 TACR1 (0.66) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL8234111 0.89 TACR1 (0.66) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL5391083 0.87 ITGB3 (0.65) ITGB3ITGA2BTACR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US 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
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 ITGB3 1391/4885ITGA2B 2298/4885TACR1 160/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ITGB3 1776/4885ITGA2B 2232/4885TACR1 30/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ITGB3 1730/4885ITGA2B 2240/4885TACR1 31/4885

“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.