SCHEMBL20356100

SCHEMBL20356100

CCC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 15/20 0.56
▸ CASP1 P29466 6/20 0.56
▸ CASP9 P55211 4/20 0.56
▸ CASP4 P49662 3/20 0.56
▸ CASP5 P51878 2/20 0.56
▸ CASP6 P55212 2/20 0.56
▸ CASP8 Q14790 2/20 0.56
▸ CASP10 Q92851 2/20 0.56
▸ CASP7 P55210 8/20 0.53
▸ TASP1 Q9H6P5 1/20 0.53
▸ PSMB5 P28074 1/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.41
▸ CTSC P53634 1/20 0.41

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
SCHEMBL20052422 1.00 CASP3 (0.56) CASP3CASP1CASP9CASP4CASP5
SCHEMBL15462721 1.00 CASP3 (0.56) CASP3CASP1CASP9CASP4CASP5
SCHEMBL20356098 0.95 CASP3 (0.49) CASP3CASP1CASP9CASP4CASP5
SCHEMBL15462623 0.87 CASP3 (0.48) CASP3CASP1CASP9CASP4CASP5
SCHEMBL20052413 0.87 CASP3 (0.48) CASP3CASP1CASP9CASP4CASP5
SCHEMBL20355926 0.87 CASP3 (0.48) CASP3CASP1CASP9CASP4CASP5
SCHEMBL15462681 0.87 CASP3 (0.48) CASP3CASP1CASP9CASP4CASP5
SCHEMBL20052406 0.87 CASP3 (0.48) CASP3CASP1CASP9CASP4CASP5
SCHEMBL20052405 0.87 CASP3 (0.50) CASP3CASP1CASP9CASP4CASP5
SCHEMBL20356013 0.87 CASP3 (0.50) CASP3CASP1CASP9CASP4CASP5

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-10975119-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2021-04-13 — — US disclosed
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 — — 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-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 CASP3 146/4885CASP1 25/4885CASP9 127/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 CASP3 171/4885CASP1 29/4885CASP9 154/4885

“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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