SCHEMBL9961871

SCHEMBL9961871

CC(C)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 12/20 0.67
CASP7 P55210 8/20 0.62
CASP1 P29466 2/20 0.61
CASP9 P55211 2/20 0.61
ECE1 P42892 2/20 0.44
MME P08473 1/20 0.44
REN P00797 1/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL19015889 1.00 CASP3 (0.67) CASP3CASP7CASP1CASP9ECE1
SCHEMBL7888300 1.00 CASP3 (0.67) CASP3CASP7CASP1CASP9ECE1
SCHEMBL7968958 0.90 CASP3 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL18471610 0.90 CASP3 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL7975507 0.90 CASP3 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL9961861 0.90 CASP3 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL19015824 0.88 CASP3 (0.59) CASP3CASP7CASP1CASP9CTSB
SCHEMBL19015899 0.87 CASP3 (0.82) CASP3CASP7CASP1CASP9
SCHEMBL7970356 0.87 CASP3 (0.82) CASP3CASP7CASP1CASP9
SCHEMBL18782275 0.87 CASP3 (0.65) CASP3CASP7CASP1CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 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-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CASP3 6/4885CASP7 13/4885CASP1 1/4885

“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.