SCHEMBL6320730

SCHEMBL6320730

CC(C)[C@H](C#N)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.60
CTSS P25774 12/20 0.60
CTSB P07858 9/20 0.59
CTSK P43235 9/20 0.59
ELANE P08246 1/20 0.57
TACR1 P25103 1/20 0.55
ATM Q13315 1/20 0.54

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
SCHEMBL6311222 1.00 CTSL (0.60) CTSLCTSSCTSBCTSKELANE
SCHEMBL6311227 1.00 CTSL (0.60) CTSLCTSSCTSBCTSKELANE
SCHEMBL1152786 0.87 ATM (0.56) CTSLCTSSCTSBCTSKELANE
SCHEMBL16834866 0.87 ATM (0.56) CTSLCTSSCTSBCTSKELANE
SCHEMBL16846451 0.87 ATM (0.56) CTSLCTSSCTSBCTSKELANE
SCHEMBL7300987 0.87 ATM (0.56) CTSLCTSSCTSBCTSKELANE
SCHEMBL6311738 0.85 CTSS (0.62) CTSLCTSSCTSBCTSKELANE
SCHEMBL6311732 0.85 CTSS (0.62) CTSLCTSSCTSBCTSKELANE
SCHEMBL6312473 0.85 CTSS (0.62) CTSLCTSSCTSBCTSKELANE
SCHEMBL16492789 0.83 CTSS (0.60) CTSLCTSSCTSBCTSKELANE

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-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L CTSL 4145/4885CTSS 2164/4885CTSB 1890/4885

“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.