SCHEMBL18782014

SCHEMBL18782014

CC(C)[C@H](NC(=O)[C@H](CCc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)OC(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 20/20 0.73
CASP7 P55210 12/20 0.73
CASP1 P29466 8/20 0.63
CASP9 P55211 5/20 0.63
CASP4 P49662 2/20 0.57
CASP5 P51878 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54
CASP10 Q92851 1/20 0.54

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
SCHEMBL18782019 0.94 CASP3 (0.74) CASP3CASP7CASP1CASP9
SCHEMBL19015899 0.94 CASP3 (0.82) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7970356 0.94 CASP3 (0.82) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782023 0.92 CASP3 (0.75) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18781766 0.91 CASP3 (0.88) CASP3CASP7CASP1CASP9CASP4
SCHEMBL12829767 0.89 CASP3 (0.77) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18782213 0.89 CASP3 (0.90) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20609296 0.89 CASP3 (0.83) CASP3CASP7CASP1CASP9
SCHEMBL7967979 0.89 CASP3 (0.83) CASP3CASP7CASP1CASP9
SCHEMBL9961962 0.88 CASP3 (0.72) CASP3CASP7CASP1CASP9CASP4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.