SCHEMBL3814568

SCHEMBL3814568

COCCCOc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
GPR88 Q9GZN0 2/20 0.47
SUCNR1 Q9BXA5 5/20 0.45
ATM Q13315 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
S1PR3 Q99500 1/20 0.42
MAPK1 P28482 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
SCHEMBL3811492 1.00 ITGB3 (0.51) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL844327 0.94 CTSS (0.50) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL844326 0.94 CTSS (0.50) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL3375054 0.91 SUCNR1 (0.48) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL3375051 0.91 SUCNR1 (0.48) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL11595296 0.88 CTSS (0.51) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL1349362 0.88 CTSS (0.51) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL1349363 0.88 CTSS (0.51) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL7271316 0.87 POLB (0.53) ITGB3ITGA2BCTSSCTSKGPR88
SCHEMBL844276 0.86 CTSS (0.50) ITGB3ITGA2BCTSSCTSKGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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 (1 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-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ITGB3 4727/4885ITGA2B 4585/4885CTSS 1158/4885

“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.