SCHEMBL5397076

SCHEMBL5397076

O=C(N[C@H](Cc1ccccc1)C(=O)O)OCc1cc2cc(-c3cccnc3)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.52
▸ PIM2 Q9P1W9 1/20 0.52
▸ TYR P14679 2/20 0.49
▸ GPR132 Q9UNW8 5/20 0.45
▸ CMKLR2 P46091 1/20 0.45
▸ CMKLR1 Q99788 1/20 0.45
▸ HDAC8 Q9BY41 2/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42

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
SCHEMBL5397082 1.00 PIM1 (0.52) PIM1PIM2TYRGPR132CMKLR2
SCHEMBL5395568 0.95 PIM1 (0.51) PIM1PIM2TYRGPR132CMKLR2
SCHEMBL5393514 0.94 TYR (0.47) PIM1PIM2TYRGPR132CMKLR2
SCHEMBL5404041 0.93 PIM1 (0.48) PIM1PIM2TYRGPR132CMKLR2
SCHEMBL5404032 0.93 PIM1 (0.48) PIM1PIM2TYRGPR132CMKLR2
SCHEMBL5407067 0.92 TYR (0.50) PIM1PIM2TYRHDAC8ITGB3
SCHEMBL5391095 0.91 TYR (0.51) TYRGPR132ITGB3ITGAVITGA4
SCHEMBL5403314 0.91 TYR (0.56) TYRITGB3ITGAVITGA4ITGB7
SCHEMBL5403321 0.91 TYR (0.56) TYRITGB3ITGAVITGA4ITGB7
SCHEMBL5406990 0.90 TYR (0.49) TYRGPR132ITGB3ITGAVITGA4

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 PIM1 1735/4885PIM2 1664/4885TYR 2031/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 PIM1 2608/4885PIM2 2716/4885TYR 4588/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 PIM1 2520/4885PIM2 2582/4885TYR 4599/4885

“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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