SCHEMBL5404730

SCHEMBL5404730

O=C(NC(Cc1ccc(F)cc1)C(=O)O)OCc1ccc2oc(-c3cc(F)cc(F)c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 8/20 0.51
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
GPR34 Q9UPC5 2/20 0.41
TGM2 P21980 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL5404720 1.00 HPSE (0.51) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5404788 0.95 HPSE (0.57) HPSEITGB1ITGA4ITGB7ITGB3
SCHEMBL5404793 0.95 HPSE (0.57) HPSEITGB1ITGA4ITGB7ITGB3
SCHEMBL5414976 0.94 HPSE (0.55) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5414974 0.94 HPSE (0.55) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5406703 0.92 HPSE (0.59) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5406709 0.92 HPSE (0.59) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5395595 0.88 HPSE (0.57) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5398947 0.88 HPSE (0.57) HPSEITGB1ITGA4ITGB7MAPT
SCHEMBL5401192 0.86 HPSE (0.50) HPSEITGB1ITGA4ITGB7TP53

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 HPSE 4167/4885ITGB1 2527/4885ITGA4 2276/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 HPSE 3244/4885ITGB1 2112/4885ITGA4 2982/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 HPSE 3259/4885ITGB1 2120/4885ITGA4 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.