SCHEMBL9962260

SCHEMBL9962260

CCOC(=O)C[C@@H](/C=C(\Cl)S(C)(=O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OCC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.83
CASP7 P55210 14/20 0.83
CASP9 P55211 6/20 0.83
CASP10 Q92851 3/20 0.83
CASP1 P29466 8/20 0.65
CASP4 P49662 3/20 0.65
CASP8 Q14790 2/20 0.64
CASP5 P51878 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL9961964 0.97 CASP3 (0.88) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9961999 0.97 CASP3 (0.88) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962320 0.95 CASP3 (0.75) CASP3CASP7CASP9CASP10CASP1
SCHEMBL7889970 0.94 CASP3 (0.85) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962316 0.93 CASP3 (0.72) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9961963 0.91 CASP3 (0.81) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962038 0.91 CASP3 (1.00) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962287 0.89 CASP3 (0.66) CASP3CASP7CASP9CASP10CASP1
SCHEMBL7878192 0.89 CASP3 (0.68) CASP3CASP7CASP9CASP10CASP1
SCHEMBL9962253 0.89 CASP3 (0.83) CASP3CASP7CASP9CASP10CASP1

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 13/4885CASP9 10/4885

“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.