SCHEMBL3378136

SCHEMBL3378136

CC(C)(C)OC(=O)NC(C(=O)OCc1ccccc1)c1ccc(/C=C/S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.44
▸ CTSS P25774 3/20 0.44
▸ CTSK P43235 1/20 0.44
▸ PSMB5 P28074 3/20 0.43
▸ PPARA Q07869 2/20 0.42
▸ CASP3 P42574 3/20 0.41
▸ CTSL P07711 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL3378137 1.00 SYK (0.44) SYKCTSSCTSKPSMB5PPARA
SCHEMBL23837230 0.84 CTSS (0.60) SYKCTSSCTSKPPARACTSL
SCHEMBL17724519 0.84 CTSS (0.60) SYKCTSSCTSKPPARACTSL
SCHEMBL4689229 0.83 CTSS (0.53) SYKCTSSCTSKPPARACTSL
SCHEMBL9042226 0.83 CTSS (0.53) SYKCTSSCTSKPPARACTSL
SCHEMBL4689227 0.83 CTSS (0.53) SYKCTSSCTSKPPARACTSL
SCHEMBL1822425 0.82 SYK (0.49) SYKCTSSCTSKPPARACTSL
SCHEMBL5557488 0.82 CTSS (0.52) SYKCTSSCTSKPPARACTSL
SCHEMBL3379320 0.81 CTSS (0.51) SYKCTSSCTSKPPARACTSL
SCHEMBL192405 0.81 CTSS (0.54) SYKCTSSCTSKPPARACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 — — EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 — — EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 — — WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 — — WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 — — 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 (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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF SYK 921/4885CTSS 1187/4885CTSK 1484/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC SYK 927/4885CTSS 1869/4885CTSK 1094/4885

“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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