SCHEMBL6318841

SCHEMBL6318841

N#C[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.65
CTSK P43235 8/20 0.65
TACR1 P25103 1/20 0.64
CTSS P25774 7/20 0.62
CTSB P07858 2/20 0.62
CTSC P53634 4/20 0.61
CTRB1 P17538 2/20 0.59

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
SCHEMBL392814 1.00 CTSL (0.65) CTSLCTSKTACR1CTSSCTSB
SCHEMBL6312394 1.00 CTSL (0.65) CTSLCTSKTACR1CTSSCTSB
SCHEMBL1186365 0.87 CTSS (0.60) CTSLCTSKTACR1CTSSCTSB
SCHEMBL24852467 0.87 CTSS (0.60) CTSLCTSKTACR1CTSSCTSB
SCHEMBL7418478 0.87 TACR1 (0.55) CTSLCTSKTACR1CTSSCTSB
SCHEMBL4598612 0.87 CTRB1 (0.61) CTSLCTSKTACR1CTSSCTSB
SCHEMBL7310119 0.87 CTRB1 (0.61) CTSLCTSKTACR1CTSSCTSB
SCHEMBL7300784 0.87 CTRB1 (0.61) CTSLCTSKTACR1CTSSCTSB
SCHEMBL23236445 0.86 CTSL (0.66) CTSLCTSKTACR1CTSSCTSB
SCHEMBL17973557 0.85 CTRB1 (0.59) CTSLCTSKTACR1CTSSCTSB

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 4145/4885CTSK 2200/4885TACR1 2756/4885

“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.