SCHEMBL14436615

SCHEMBL14436615

CCC(NC(=O)OC(C)(C)C)c1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.49
CTSK P43235 9/20 0.49
KCNK3 O14649 1/20 0.43
CTSB P07858 3/20 0.43
KDM4D Q6B0I6 1/20 0.42
CTSL P07711 2/20 0.42
FAAH O00519 3/20 0.41
GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL4839068 0.90 CTSS (0.49) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL4839064 0.90 CTSS (0.49) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL321050 0.88 CTSS (0.50) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL4968810 0.88 CTSS (0.50) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL321049 0.88 CTSS (0.50) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL4035607 0.87 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL4968776 0.87 CTSS (0.46) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL7114124 0.81 CTSS (0.56) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL31724504 0.81 CTSS (0.56) CTSSCTSKCTSBKDM4DCTSL
SCHEMBL6680680 0.81 CTSK (0.43) CTSSCTSKFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3111/4885KCNK3 2293/4885

“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.