SCHEMBL5403326

SCHEMBL5403326

O=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1ccc(COc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.55
ITGB3 P05106 9/20 0.52
ITGA2B P08514 8/20 0.52
GPR34 Q9UPC5 3/20 0.52
ITGAV P06756 1/20 0.51
AR P10275 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL27533192 1.00 GPR132 (0.55) GPR132ITGB3ITGA2BGPR34ITGAV
SCHEMBL5400250 0.94 ITGB3 (0.52) GPR132ITGB3ITGA2BGPR34ITGAV
SCHEMBL27511632 0.90 AR (0.59) ITGB3ITGA2BARPOLBTDP1
SCHEMBL5403293 0.90 GPR132 (0.56) GPR132ITGB3ITGA2BGPR34ITGAV
SCHEMBL27509468 0.90 GPR132 (0.56) GPR132ITGB3ITGA2BGPR34ITGAV
SCHEMBL5392644 0.87 ITGB3 (0.60) ITGB3ITGA2BITGAVF2PRSS1
SCHEMBL5398950 0.83 ITGB3 (0.60) GPR132ITGB3ITGA2BGPR34ITGAV
SCHEMBL5398958 0.83 ITGB3 (0.60) GPR132ITGB3ITGA2BGPR34ITGAV
SCHEMBL27528556 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAVF2PRSS1
SCHEMBL5401167 0.83 GPR132 (0.66) GPR132ITGB3ITGA2BGPR34ITGAV

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 GPR132 181/4885ITGB3 1391/4885ITGA2B 2298/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 GPR132 310/4885ITGB3 1776/4885ITGA2B 2232/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 GPR132 288/4885ITGB3 1730/4885ITGA2B 2240/4885

“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.