SCHEMBL18782005

SCHEMBL18782005

C=N/C(=C\NC)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.63
▸ CASP3 P42574 12/20 0.58
▸ CASP7 P55210 6/20 0.58
▸ CASP1 P29466 5/20 0.58
▸ CASP9 P55211 3/20 0.58
▸ CASP4 P49662 2/20 0.48
▸ CASP5 P51878 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ CASP10 Q92851 1/20 0.48

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
SCHEMBL9961858 0.84 CASP3 (0.65) CTSLCASP3CASP7CASP1CASP9
SCHEMBL9961850 0.82 CASP3 (0.85) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7353898 0.76 CTSL (0.76) CTSLCASP3CASP7CASP1
SCHEMBL7353906 0.76 CTSL (0.76) CTSLCASP3CASP7CASP1
SCHEMBL7353893 0.76 CTSL (0.76) CTSLCASP3CASP7CASP1
SCHEMBL18472372 0.75 CASP3 (0.74) CTSLCASP3CASP7CASP1CASP9
SCHEMBL9961887 0.75 CASP3 (0.74) CTSLCASP3CASP7CASP1CASP9
SCHEMBL18781744 0.75 CASP3 (0.74) CTSLCASP3CASP7CASP1CASP9
SCHEMBL9961759 0.74 CASP3 (0.66) CTSLCASP3CASP7CASP1CASP9
SCHEMBL16770328 0.74 CTSK (0.65) CTSL

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 CTSL 32/4885CASP3 2/4885CASP7 7/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CTSL 32/4885CASP3 2/4885CASP7 7/4885

“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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