SCHEMBL283288

SCHEMBL283288

CCCCOC(=O)N[C@@H](CCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
NOD1 Q9Y239 4/20 0.45
EPHX1 P07099 1/20 0.44
ACHE P22303 7/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TGM2 P21980 1/20 0.41

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
SCHEMBL284211 1.00 ITGB3 (0.46) ITGB3ITGA2BNOD1EPHX1ACHE
SCHEMBL3655323 1.00 ITGB3 (0.46) ITGB3ITGA2BNOD1EPHX1ACHE
SCHEMBL1077922 0.93 NOD1 (0.48) ITGB3ITGA2BNOD1EPHX1ACHE
SCHEMBL7382637 0.93 NOD1 (0.48) ITGB3ITGA2BNOD1EPHX1ACHE
SCHEMBL3625936 0.92 NOD1 (0.50) ITGB3ITGA2BNOD1EPHX1TGM2
SCHEMBL3629433 0.90 NOD1 (0.53) NOD1EPHX1ACHE
SCHEMBL7447157 0.89 FOLH1 (0.51) ITGB3ITGA2BNOD1
SCHEMBL27864209 0.89 ITGB3 (0.43) ITGB3ITGA2BNOD1EPHX1ACHE
SCHEMBL5513128 0.89 ITGB3 (0.43) ITGB3ITGA2BNOD1EPHX1CTSK
SCHEMBL17175410 0.89 NOD1 (0.45) ITGB3ITGA2BNOD1EPHX1ACHE

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
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
EP-0353317-A1 Tripeptides of N3-4-methoxyfumaryl-L-2,3-diaminopropanoic acid and the method of their obtaining POLITECHNIKA GDANSKA (PL) 1990-02-07 EP 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 ITGB3 1295/4885ITGA2B 1622/4885NOD1 1278/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 ITGB3 1512/4885ITGA2B 2085/4885NOD1 843/4885

“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.