SCHEMBL5396967

SCHEMBL5396967

Cn1cc(C[C@@H](NC(=O)OCc2ccc(COc3ccccc3)cc2)C(=O)O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.52
▸ ITGA2B P08514 13/20 0.52
▸ ADAM17 P78536 1/20 0.51
▸ PPARG P37231 2/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ ITGAV P06756 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MME P08473 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL5396976 1.00 ITGB3 (0.52) ITGB3ITGA2BADAM17PPARGKMT2A
SCHEMBL8486002 0.92 ADAM17 (0.49) ITGB3ITGA2BADAM17KMT2AKDM4E
SCHEMBL9082551 0.92 ADAM17 (0.49) ITGB3ITGA2BADAM17KMT2AKDM4E
SCHEMBL5827689 0.91 ITGA4 (0.49) ITGB3ITGA2BADAM17KMT2AITGAV
SCHEMBL5827687 0.91 ITGA4 (0.49) ITGB3ITGA2BADAM17KMT2AITGAV
SCHEMBL14338218 0.84 ALDH1A1 (0.46) ITGB3ADAM17KMT2AITGAVKDM4E
SCHEMBL21747166 0.83 ADAM17 (0.51) ADAM17KMT2AKDM4EMEN1
SCHEMBL18396076 0.83 ADAM17 (0.51) ADAM17KMT2AKDM4EMEN1
SCHEMBL19339797 0.82 ADAM17 (0.53) ADAM17KMT2AKDM4EMEN1
SCHEMBL2708537 0.82 ADAM17 (0.53) ADAM17KMT2AKDM4EMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 — — US claimed
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 ITGB3 1391/4885ITGA2B 2298/4885ADAM17 4678/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ITGB3 1776/4885ITGA2B 2232/4885ADAM17 4647/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ITGB3 1730/4885ITGA2B 2240/4885ADAM17 4661/4885

“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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