SCHEMBL3815064

SCHEMBL3815064

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C#N)C(=O)F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.58
CTSK P43235 17/20 0.58
CTSL P07711 3/20 0.52
CTSB P07858 3/20 0.52
PTPN1 P18031 1/20 0.49

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
SCHEMBL3812341 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL3812344 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL29907919 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL17912348 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL29842925 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL25219488 0.82 CTSS (0.50) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL5969521 0.79 PTPN1 (0.51) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL844027 0.78 CTSS (0.67) CTSSCTSKCTSLCTSB
SCHEMBL2684894 0.78 CTSS (0.67) CTSSCTSKCTSLCTSB
SCHEMBL5873422 0.78 CTSS (0.67) CTSSCTSKCTSLCTSB

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-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
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO 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 CTSS 1158/4885CTSK 1629/4885CTSL 2235/4885

“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.