SCHEMBL3718219

SCHEMBL3718219

C=CS(=O)(=O)c1ccccc1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)N(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 17/20 0.48
▸ CASP7 P55210 13/20 0.48
▸ CASP1 P29466 6/20 0.48
▸ CASP9 P55211 4/20 0.48
▸ CASP10 Q92851 1/20 0.39
▸ CASP4 P49662 1/20 0.38
▸ PSMB5 P28074 1/20 0.36

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
SCHEMBL1396580 0.85 CASP3 (0.52) CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396434 0.84 CASP3 (0.51) CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396589 0.82 CASP3 (0.59) CASP3CASP7CASP1CASP9CASP10
SCHEMBL3718444 0.82 CASP3 (0.50) CASP3CASP7CASP1CASP9CASP10
SCHEMBL9929920 0.82 CASP3 (0.48) CASP3CASP7CASP1CASP9
SCHEMBL1396588 0.78 CASP3 (0.49) CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396473 0.75 CASP3 (0.52) CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396481 0.74 CASP3 (0.47) CASP3CASP7CASP1CASP9CASP10
SCHEMBL1396586 0.74 CASP3 (0.47) CASP3CASP7CASP1CASP9CASP10
SCHEMBL9929932 0.71 CASP1 (0.47) CASP3CASP7CASP1CASP9CASP10

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 3 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
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 — — 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 (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 13/4885CASP1 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.

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