SCHEMBL7969269

SCHEMBL7969269

CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)OC(C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.82
CASP7 P55210 10/20 0.82
CASP1 P29466 5/20 0.60
CASP9 P55211 3/20 0.54
CTSL P07711 1/20 0.52
CASP4 P49662 1/20 0.51

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
SCHEMBL18471544 1.00 CASP3 (0.82) CASP3CASP7CASP1CASP9CTSL
SCHEMBL18782287 0.94 CASP3 (0.73) CASP3CASP7CASP1CASP9CTSL
SCHEMBL7887133 0.90 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782311 0.90 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015878 0.89 CASP3 (0.66) CASP3CASP7CASP1CASP9CTSL
SCHEMBL7967979 0.89 CASP3 (0.83) CASP3CASP7CASP1CASP9CTSL
SCHEMBL20609296 0.89 CASP3 (0.83) CASP3CASP7CASP1CASP9CTSL
SCHEMBL18472220 0.87 CASP3 (0.90) CASP3CASP7CASP1CASP9CASP4
SCHEMBL16375419 0.87 CASP3 (0.90) CASP3CASP7CASP1CASP9CASP4
SCHEMBL12829828 0.85 CASP3 (0.76) CASP3CASP7CASP1CASP9CTSL

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
US-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 US disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 CASP3 1/4885CASP7 9/4885CASP1 2/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CASP3 2/4885CASP7 7/4885CASP1 1/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CASP3 2/4885CASP7 7/4885CASP1 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.