SCHEMBL4684445

SCHEMBL4684445

COC(=O)COc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
GAA P10253 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
S1PR3 Q99500 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
PTGS2 P35354 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN1 P18031 2/20 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
SCHEMBL4684444 1.00 CTSS (0.50) CTSSCTSKKMT2AMEN1POLB
SCHEMBL20592743 0.94 CTSK (0.51) CTSSCTSKKMT2AMEN1ATM
SCHEMBL20592740 0.94 CTSK (0.51) CTSSCTSKKMT2AMEN1ATM
SCHEMBL4683195 0.88 CTSS (0.50) CTSSCTSKKMT2AATMITGB3
SCHEMBL4683199 0.88 CTSS (0.50) CTSSCTSKKMT2AATMITGB3
SCHEMBL3376329 0.86 CTSS (0.49) CTSSCTSKKMT2AMEN1POLB
SCHEMBL3376327 0.86 CTSS (0.49) CTSSCTSKKMT2AMEN1POLB
SCHEMBL11595296 0.86 CTSS (0.51) CTSSCTSKKMT2AATMITGB3
SCHEMBL3377047 0.86 CTSS (0.53) CTSSCTSKKMT2AMEN1POLB
SCHEMBL3377050 0.86 CTSS (0.53) CTSSCTSKKMT2AMEN1POLB

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
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885KMT2A 118/4885

“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.