SCHEMBL5392292

SCHEMBL5392292

COC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccc2oc(-c3ccccc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
KDR P35968 1/20 0.49
ATM Q13315 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSK P43235 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5396505 1.00 FFAR1 (0.53) FFAR1ALDH1A1ALOX15KDRATM
SCHEMBL5416204 0.92 FFAR1 (0.55) FFAR1CTSLCTSBCTSS
SCHEMBL5395869 0.92 FFAR1 (0.55) FFAR1CTSLCTSBCTSS
SCHEMBL5396560 0.83 MAOB (0.51) FFAR1ALDH1A1
SCHEMBL5396555 0.83 MAOB (0.51) FFAR1ALDH1A1
SCHEMBL5406486 0.82 HPSE (0.49) ALDH1A1ALOX15KDRHDAC1HDAC6
SCHEMBL5406479 0.82 HPSE (0.49) ALDH1A1ALOX15KDRHDAC1HDAC6
SCHEMBL5397000 0.82 HDAC1 (0.50) ALDH1A1ALOX15KDRATMHDAC1
SCHEMBL5397004 0.82 HDAC1 (0.50) ALDH1A1ALOX15KDRATMHDAC1
SCHEMBL5399986 0.80 ALDH1A1 (0.67) ALDH1A1ALOX15ATMCTSLCTSB

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 FFAR1 38/4885ALDH1A1 1169/4885ALOX15 954/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 FFAR1 3/4885ALDH1A1 775/4885ALOX15 1974/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 FFAR1 3/4885ALDH1A1 834/4885ALOX15 2221/4885

“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.