SCHEMBL12452467

SCHEMBL12452467

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.68
CTSK P43235 8/20 0.68
CTSL P07711 3/20 0.68
CTSB P07858 2/20 0.68
CAPN1 P07384 1/20 0.60
AAK1 Q2M2I8 1/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
REN P00797 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
SCHEMBL10944684 0.88 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14932672 0.88 CTSK (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL15522580 0.88 CTSK (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL996962 0.88 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9037393 0.87 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL10904211 0.87 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL24741085 0.85 CAPN1 (0.74) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18414075 0.85 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL13764937 0.85 CTSS (0.72) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL10979134 0.85 CTSK (0.64) CTSSCTSKCTSLCTSBCAPN1

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-20120237533-A1 Compositions and Methods for Inducing Apoptosis in Prostate Cancer Cells WAKE FOREST UNIVERSITY HEALTH SCIENCES 2012-09-20 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-20120237533-A1 Compositions and Methods for Inducing Apoptosis in Prostate Cancer Cells BAX, CASP3, BCL2 CTSS 446/4885CTSK 382/4885CTSL 321/4885

“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.