SCHEMBL1068898

SCHEMBL1068898

CC(C)(C)OC(=O)NC(Cc1ccco1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.73
CTSK P43235 5/20 0.73
ACE P12821 1/20 0.54
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARD Q03181 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
IDO1 P14902 1/20 0.46
PTPN1 P18031 1/20 0.44
FOLH1 Q04609 2/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL9955720 1.00 CTSS (0.73) CTSSCTSKACEPPARAPPARG
SCHEMBL1068894 1.00 CTSS (0.73) CTSSCTSKACEPPARAPPARG
SCHEMBL16460386 0.85 CTSS (0.64) CTSSCTSKACEPPARAPPARG
SCHEMBL16460387 0.85 CTSS (0.64) CTSSCTSKACEPPARAPPARG
SCHEMBL10094308 0.83 CTSS (0.62) CTSSCTSKACEPPARAPPARG
SCHEMBL18084174 0.83 CTSS (0.62) CTSSCTSKACEPPARAPPARG
SCHEMBL3573493 0.83 CTSS (0.52) CTSSCTSKITGB3FOLH1
SCHEMBL11022657 0.83 CTSS (0.61) CTSSCTSKACECTSLCTSB
SCHEMBL16119123 0.80 FOLH1 (0.49) CTSSCTSKFOLH1
SCHEMBL8308836 0.80 CTSS (0.70) CTSSCTSKACECTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 WO disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed
US-4338434-A ANTIBIOTICS AND ANIMAL FEED SUPPLEMENTS BAYER AKTIENGESELLSCHAFT (DE) 1982-07-06 US disclosed
US-4215118-A BACTERICIDES, ANIMAL GROWTH PROMOTERS, PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1980-07-29 US 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CTSS 1598/4885CTSK 365/4885ACE 848/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885ACE 1332/4885
US-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CTSS 843/4885CTSK 100/4885ACE 590/4885

“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.