SCHEMBL3375608

SCHEMBL3375608

CC(c1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
CTSS P25774 4/20 0.49
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.43
TRPA1 O75762 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 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
SCHEMBL4686602 1.00 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4686608 1.00 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL14250689 0.88 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL844407 0.88 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3379781 0.88 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4116995 0.88 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3414715 0.88 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL5873431 0.81 CTSK (0.63) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL5873395 0.81 CTSK (0.63) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL5873392 0.81 CTSK (0.63) CTSKCTSSGABRB1GABRB2MAPT

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 5 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
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
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 CTSK 1484/4885CTSS 1187/4885GABRB1 3069/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSK 1094/4885CTSS 1869/4885GABRB1 3644/4885

“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.