SCHEMBL16376111

SCHEMBL16376111

C=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O)C(C)C

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.92
CASP7 P55210 12/20 0.92
CASP1 P29466 8/20 0.92
CASP9 P55211 4/20 0.73
CASP4 P49662 3/20 0.73
CASP5 P51878 2/20 0.73
CASP6 P55212 2/20 0.73
CASP8 Q14790 2/20 0.73
CASP10 Q92851 2/20 0.73

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
SCHEMBL12829768 0.96 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20609292 0.96 CASP3 (1.00) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462653 0.93 CASP3 (0.92) CASP3CASP7CASP1CASP9CASP4
SCHEMBL18471462 0.89 CASP3 (0.86) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7969748 0.88 CASP3 (0.83) CASP3CASP7CASP1CASP9CASP4
SCHEMBL19015785 0.86 CASP3 (0.81) CASP3CASP7CASP1CASP9CASP4
SCHEMBL12829385 0.85 CASP3 (0.80) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052417 0.85 CASP3 (0.77) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20355933 0.85 CASP3 (0.77) CASP3CASP7CASP1CASP9CASP4
SCHEMBL15462676 0.85 CASP3 (0.77) 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-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 CASP3 1/4885CASP7 9/4885CASP1 2/4885

“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.