SCHEMBL5403314

SCHEMBL5403314

O=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.56
ITGB3 P05106 6/20 0.51
ITGAV P06756 2/20 0.51
ITGA2B P08514 4/20 0.45
MME P08473 2/20 0.45
ACE P12821 2/20 0.45
CPA1 P15085 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
TACR1 P25103 3/20 0.44
PPARA Q07869 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 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
SCHEMBL5403321 1.00 TYR (0.56) TYRITGB3ITGAVITGA2BMME
SCHEMBL5410169 0.95 TYR (0.52) TYRITGB3ITGAVITGA2BTACR1
SCHEMBL5414845 0.95 PPARA (0.52) TYRITGB3ITGAVITGA2BPPARA
SCHEMBL5392605 0.95 TYR (0.52) TYRITGB3ITGAVITGA2B
SCHEMBL5410163 0.95 TYR (0.52) TYRITGB3ITGAVITGA2BTACR1
SCHEMBL5414841 0.95 PPARA (0.52) TYRITGB3ITGAVITGA2BPPARA
SCHEMBL5392610 0.95 TYR (0.52) TYRITGB3ITGAVITGA2B
SCHEMBL5391095 0.94 TYR (0.51) TYRITGB3ITGAVITGA2BTACR1
SCHEMBL5400804 0.93 TYR (0.50) TYRITGB3ITGAVITGA2BITGA4
SCHEMBL5400812 0.93 TYR (0.50) TYRITGB3ITGAVITGA2BITGA4

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 42 patents — showing the first 20. 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
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US 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-11857537-B2 Use of prostacyclin antagonists for treating ocular surface nociception JENIVISION INC. (US) 2024-01-02 US disclosed
US-11541120-B2 Phosphonium-based ionic drug conjugates ANTHOS PARTNERS, LP (US) 2023-01-03 US disclosed
US-20210212993-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION JENIVISION INC. 2021-07-15 US disclosed
US-20200353087-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES ANTHOS PARTNERS, LP 2020-11-12 US disclosed
US-20200345697-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION JENIVISION INC (US) 2020-11-05 US disclosed
WO-2019113210-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES ANTHOS PARTNERS, LP (US) 2019-06-13 WO disclosed
US-9827225-B2 Use of prostacyclin antagonists for treating ocular surface nociception JENIVISION INC. (US) 2017-11-28 US disclosed
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 (8 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-20200353087-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES SLC8B1, PHOSPHO1, PBDC1 TYR 4767/4885ITGB3 3891/4885ITGAV 3551/4885
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 TYR 2031/4885ITGB3 1391/4885ITGAV 2343/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TYR 4588/4885ITGB3 1776/4885ITGAV 2954/4885
US-11857537-B2 Use of prostacyclin antagonists for treating ocular surface nociception PTGIR, PTGIS, TRPA1 TYR 1540/4885ITGB3 1353/4885ITGAV 1739/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TYR 4599/4885ITGB3 1730/4885ITGAV 3029/4885
US-20210212993-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION PTGIR, PTGIS, TRPA1 TYR 1540/4885ITGB3 1353/4885ITGAV 1739/4885
US-11541120-B2 Phosphonium-based ionic drug conjugates SLC8B1, PHOSPHO1, PBDC1 TYR 4767/4885ITGB3 3891/4885ITGAV 3551/4885
US-20200345697-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION PTGIR, PTGIS, TRPA1 TYR 1540/4885ITGB3 1353/4885ITGAV 1739/4885

“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.