SCHEMBL3379647

SCHEMBL3379647

COC(=O)C(NC(=O)OC(C)(C)C)c1ccc(OCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
S1PR3 Q99500 1/20 0.41
NR1H2 P55055 1/20 0.41
ACACB O00763 1/20 0.40
GPR88 Q9GZN0 2/20 0.40
SUCNR1 Q9BXA5 2/20 0.40
CYP3A4 P08684 1/20 0.40
FAAH O00519 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
SCHEMBL3379645 1.00 CTSS (0.48) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL3611054 0.90 CTSS (0.48) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL1349363 0.90 CTSS (0.51) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL15107465 0.90 CTSS (0.48) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL1349362 0.90 CTSS (0.51) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL7279022 0.86 MAPK1 (0.52) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL11596126 0.86 CTSS (0.49) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL20439377 0.86 CTSS (0.49) CTSSCTSKITGB3ITGA2BSMN1; SMN2
SCHEMBL13808330 0.85 NPSR1 (0.50) CTSSCTSKSMN1; SMN2MAPK1S1PR3
SCHEMBL2426585 0.85 NPSR1 (0.50) CTSSCTSKSMN1; SMN2MAPK1S1PR3

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 6 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
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 1484/4885ITGB3 4777/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSS 1869/4885CTSK 1094/4885ITGB3 2575/4885

“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.