SCHEMBL7889716

SCHEMBL7889716

CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 5/20 0.65
▸ CASP7 P55210 5/20 0.65
▸ CASP1 P29466 4/20 0.65
▸ CASP9 P55211 3/20 0.65
▸ CASP4 P49662 2/20 0.65
▸ CASP10 Q92851 2/20 0.65
▸ CASP8 Q14790 1/20 0.65
▸ MMP9 P14780 1/20 0.50
▸ CTSK P43235 3/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 1/20 0.49
▸ ECE1 P42892 3/20 0.48
▸ MME P08473 2/20 0.48
▸ ATM Q13315 1/20 0.47

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
SCHEMBL7880623 0.92 CASP3 (0.61) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7884623 0.89 CASP3 (0.57) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7887362 0.89 CASP3 (0.61) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20356083 0.87 CASP3 (0.71) CASP3CASP7CASP1CASP9CASP4
SCHEMBL9962276 0.86 CASP1 (0.56) CASP3CASP7CASP1CASP9CASP4
SCHEMBL20052378 0.86 CASP3 (0.61) CASP3CASP7CASP1CASP9CASP4
SCHEMBL9962318 0.84 CASP3 (0.73) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7882800 0.84 CASP3 (0.66) CASP3CASP7CASP1CASP9CASP4
SCHEMBL9962253 0.84 CASP3 (0.83) CASP3CASP7CASP1CASP9CASP4
SCHEMBL9962320 0.84 CASP3 (0.75) 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 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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