SCHEMBL9962276

SCHEMBL9962276

CCOC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OCC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.56
CASP3 P42574 4/20 0.56
CASP9 P55211 4/20 0.56
CASP7 P55210 2/20 0.56
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
ECE1 P42892 3/20 0.51
MME P08473 2/20 0.51
CASP4 P49662 2/20 0.50
CASP8 Q14790 2/20 0.50
CASP10 Q92851 2/20 0.50
CASP5 P51878 1/20 0.50
CASP6 P55212 1/20 0.50
CTSK P43235 3/20 0.49
CTSB P07858 2/20 0.49
SIRT2 Q8IXJ6 2/20 0.49

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
SCHEMBL9962261 0.89 CASP3 (0.53) CASP1CASP3CASP9CASP7BCHE
SCHEMBL20740990 0.87 CASP3 (0.54) CASP1CASP3CASP9CASP7ECE1
SCHEMBL7888291 0.87 CASP3 (0.54) CASP1CASP3CASP9CASP7ECE1
SCHEMBL19015971 0.87 CASP3 (0.54) CASP1CASP3CASP9CASP7ECE1
SCHEMBL7889716 0.86 CASP3 (0.65) CASP1CASP3CASP9CASP7ECE1
SCHEMBL7262083 0.85 BCHE (0.59) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL9962279 0.84 CASP3 (0.79) CASP1CASP3CASP9CASP7CASP4
SCHEMBL9962287 0.84 CASP3 (0.66) CASP1CASP3CASP9CASP7CASP4
SCHEMBL9961981 0.83 CASP3 (0.64) CASP1CASP3CASP9CASP7ECE1
SCHEMBL7888146 0.83 CASP3 (0.55) CASP1CASP3CASP9CASP7BCHE

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 CASP1 1/4885CASP3 6/4885CASP9 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.