SCHEMBL5395899

SCHEMBL5395899

C=CCOC(=O)C(Cc1ccccc1)NC(=O)OCc1nc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TYR P14679 2/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL5395897 1.00 ALDH1A1 (0.42) ALDH1A1TYRITGB3ITGAVCASP1
SCHEMBL5392224 0.88 ITGB3 (0.49) TYRITGB3ITGAVNPC1RAB9A
SCHEMBL5392233 0.88 ITGB3 (0.49) TYRITGB3ITGAVNPC1RAB9A
SCHEMBL30306805 0.74 HDAC1 (0.40) ALDH1A1CASP1NPC1RAB9A
SCHEMBL10456816 0.74 ALDH1A1 (0.59) ALDH1A1TYRCASP1TACR1CTSL
SCHEMBL10456818 0.74 ALDH1A1 (0.59) ALDH1A1TYRCASP1TACR1CTSL
SCHEMBL28968885 0.72 MDM4 (0.40) CASP1NPC1RAB9A
SCHEMBL5406479 0.71 HPSE (0.49) ALDH1A1NPC1RAB9ATACR1
SCHEMBL5406486 0.71 HPSE (0.49) ALDH1A1NPC1RAB9ATACR1
SCHEMBL5397000 0.71 HDAC1 (0.50) ALDH1A1TYR

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 12 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-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 — — 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
CN-1241909-C Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-02-15 — — CN 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
CN-1418187-A Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2003-05-14 — — CN 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 ALDH1A1 1169/4885TYR 2031/4885ITGB3 1391/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ALDH1A1 775/4885TYR 4588/4885ITGB3 1776/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ALDH1A1 834/4885TYR 4599/4885ITGB3 1730/4885

“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.

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