SCHEMBL4968776

SCHEMBL4968776

CC(C)(C)OC(=O)N[C@@H](CC=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.46
CTSK P43235 11/20 0.46
KDM4D Q6B0I6 1/20 0.41
CTSB P07858 4/20 0.41
CTSL P07711 2/20 0.40
MAPT P10636 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL14436615 0.87 CTSS (0.49) CTSSCTSKKDM4DCTSBCTSL
SCHEMBL4839064 0.87 CTSS (0.49) CTSSCTSKKDM4DCTSBCTSL
SCHEMBL4839068 0.87 CTSS (0.49) CTSSCTSKKDM4DCTSBCTSL
SCHEMBL321050 0.85 CTSS (0.50) CTSSCTSKKDM4DCTSBCTSL
SCHEMBL321049 0.85 CTSS (0.50) CTSSCTSKKDM4DCTSBCTSL
SCHEMBL4968810 0.85 CTSS (0.50) CTSSCTSKKDM4DCTSBCTSL
SCHEMBL4035607 0.84 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL6091734 0.82 CTSK (0.47) CTSSCTSKMAPTAAK1
SCHEMBL6091745 0.82 CTSK (0.47) CTSSCTSKMAPTAAK1
SCHEMBL21507528 0.82 CTSK (0.46) CTSSCTSKMAPT

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-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 CTSS 3002/4885CTSK 3111/4885KDM4D 4176/4885

“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.