SCHEMBL3379296

SCHEMBL3379296

CC(O)COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
GPR88 Q9GZN0 8/20 0.48
LMNA P02545 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
S1PR3 Q99500 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL4744531 1.00 CTSS (0.50) CTSSCTSKGPR88LMNAITGB3
SCHEMBL3379292 1.00 CTSS (0.50) CTSSCTSKGPR88LMNAITGB3
SCHEMBL3379286 1.00 CTSS (0.50) CTSSCTSKGPR88LMNAITGB3
SCHEMBL1554766 0.88 GPR88 (0.54) CTSSCTSKGPR88
SCHEMBL1554764 0.88 GPR88 (0.54) CTSSCTSKGPR88
SCHEMBL1554765 0.88 GPR88 (0.54) CTSSCTSKGPR88
SCHEMBL2500015 0.88 GPR88 (0.54) CTSSCTSKGPR88
SCHEMBL1584437 0.86 GPR88 (0.65) GPR88
SCHEMBL3377050 0.86 CTSS (0.53) CTSSCTSKGPR88LMNAITGB3
SCHEMBL3377047 0.86 CTSS (0.53) CTSSCTSKGPR88LMNAITGB3

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 CTSS 1187/4885CTSK 1484/4885GPR88 954/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSS 1869/4885CTSK 1094/4885GPR88 4134/4885

“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.