SCHEMBL4885990

SCHEMBL4885990

CC(C)(C)OC(=O)NCCNC(=O)[C@H](CNC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.52
CTSK P43235 13/20 0.52
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CAPN1 P07384 1/20 0.47
AKT1 P31749 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL15968308 0.85 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL22498643 0.84 CTSS (0.52) CTSSCTSKCTSLCTSBMEN1
SCHEMBL22498641 0.84 CTSS (0.52) CTSSCTSKCTSLCTSBMEN1
SCHEMBL9226653 0.82 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL12954645 0.82 CTSS (0.51) CTSSCTSKCTSLCTSBMEN1
SCHEMBL15512333 0.81 CTSS (0.56) CTSSCTSKCTSLCTSBMEN1
SCHEMBL29844099 0.81 CAPN1 (0.52) CTSSCTSKCTSLCTSBMEN1
SCHEMBL15512308 0.81 CTSS (0.56) CTSSCTSKCTSLCTSBMEN1
SCHEMBL17087706 0.81 CAPN1 (0.46) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14029765 0.79 CTSS (0.53) CTSSCTSKCTSLCTSBMEN1

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 CTSS 1049/4885CTSK 1658/4885CTSL 572/4885

“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.