SCHEMBL6311732

SCHEMBL6311732

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

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.62
CTSL P07711 14/20 0.62
CTSB P07858 9/20 0.61
CTSK P43235 8/20 0.61
TACR1 P25103 1/20 0.58
ATM Q13315 1/20 0.57
ELANE P08246 1/20 0.56

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
SCHEMBL6312473 1.00 CTSS (0.62) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6311738 1.00 CTSS (0.62) CTSSCTSLCTSBCTSKTACR1
SCHEMBL3516129 0.86 ATM (0.58) CTSSCTSLCTSBCTSKTACR1
SCHEMBL3516128 0.86 ATM (0.58) CTSSCTSLCTSBCTSKTACR1
SCHEMBL4561240 0.86 ATM (0.58) CTSSCTSLCTSBCTSKTACR1
SCHEMBL14283757 0.86 CTSK (0.77) CTSSCTSLCTSBCTSK
SCHEMBL6311222 0.85 CTSL (0.60) CTSSCTSLCTSBCTSKTACR1
SCHEMBL16492789 0.85 CTSS (0.60) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6311227 0.85 CTSL (0.60) CTSSCTSLCTSBCTSKTACR1
SCHEMBL6320730 0.85 CTSL (0.60) CTSSCTSLCTSBCTSKTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687988-B1 ANTIBACTERIAL COMPOUND AND USES OF SAME BIOMERIEUX SA (FR) 2023-05-03 EP disclosed
US-11414403-B2 Antibacterial compound and uses of same BIOMERIEUX (FR) 2022-08-16 US disclosed
US-20200277281-A1 ANTIBACTERIAL COMPOUND AND USES OF SAME bioMérieux (FR) 2020-09-03 US disclosed
EP-3687988-A1 ANTIBACTERIAL COMPOUND AND USES OF SAME bioMérieux (FR) 2020-08-05 EP disclosed
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 (3 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 CTSS 2164/4885CTSL 4145/4885CTSB 1890/4885
US-20200277281-A1 ANTIBACTERIAL COMPOUND AND USES OF SAME GLUL, PGLS, TGM3 CTSS 1170/4885CTSL 110/4885CTSB 923/4885
US-11414403-B2 Antibacterial compound and uses of same GLUL, PGLS, TGM3 CTSS 1170/4885CTSL 110/4885CTSB 923/4885

“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.