SCHEMBL1348902

SCHEMBL1348902

CN(C)C(=O)COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
S1PR3 Q99500 1/20 0.41
ATM Q13315 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR88 Q9GZN0 2/20 0.41
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ACACB O00763 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN1 P18031 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL844118 1.00 CTSS (0.48) CTSSCTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL844117 1.00 CTSS (0.48) CTSSCTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL20592740 0.86 CTSK (0.51) CTSSCTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL20592743 0.86 CTSK (0.51) CTSSCTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL3377047 0.86 CTSS (0.53) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL3377050 0.86 CTSS (0.53) CTSSCTSKITGB3ITGA2BS1PR3
SCHEMBL4689223 0.85 CTSS (0.44) CTSSCTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL4683195 0.85 CTSS (0.50) CTSSCTSKSMN1; SMN2ITGB3ITGA2B
SCHEMBL4684444 0.85 CTSS (0.50) CTSSCTSKITGB3ITGA2BHDAC8
SCHEMBL4684445 0.85 CTSS (0.50) CTSSCTSKITGB3ITGA2BHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063085-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20090170920-A1 SUBSTITUTED HYDANTOINS CHEN SHAOQING 2009-07-02 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-20090170920-A1 SUBSTITUTED HYDANTOINS HNMT, HRH3, BRAF CTSS 1187/4885CTSK 1484/4885SMN1; SMN2 2176/4885

“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.