SCHEMBL3376503

SCHEMBL3376503

COC(C)Oc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSS P25774 1/20 0.49
ATM Q13315 2/20 0.43
S1PR3 Q99500 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
GPR88 Q9GZN0 1/20 0.39
ABCB1 P08183 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL3375585 0.96 CTSK (0.46) CTSKCTSSATMS1PR3PPARA
SCHEMBL4687407 0.89 CTSS (0.51) CTSKCTSSATMS1PR3GPR88
SCHEMBL4687402 0.89 CTSS (0.51) CTSKCTSSATMS1PR3GPR88
SCHEMBL3217896 0.86 ATM (0.56) CTSKCTSSATMS1PR3PPARA
SCHEMBL844432 0.86 ATM (0.56) CTSKCTSSATMS1PR3PPARA
SCHEMBL844431 0.86 ATM (0.56) CTSKCTSSATMS1PR3PPARA
SCHEMBL1349885 0.83 CTSS (0.51) CTSKCTSSATMS1PR3PPARA
SCHEMBL1349883 0.83 CTSS (0.51) CTSKCTSSATMS1PR3PPARA
SCHEMBL11349043 0.81 CTSS (0.51) CTSKCTSSATMS1PR3PPARA
SCHEMBL11595296 0.81 CTSS (0.51) CTSKCTSSATMS1PR3PPARA

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 4 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
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 1187/4885ATM 1359/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSK 1094/4885CTSS 1869/4885ATM 589/4885

“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.