SCHEMBL20052423

SCHEMBL20052423

CC(C)[C@H](NC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.47
CASP7 P55210 3/20 0.45
CASP1 P29466 3/20 0.45
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
IDO1 P14902 2/20 0.43
ECE1 P42892 2/20 0.42
MME P08473 1/20 0.42
REN P00797 2/20 0.42
CTSB P07858 2/20 0.41
CTSK P43235 1/20 0.41
CTSL P07711 1/20 0.41
NMBR P28336 1/20 0.41
CASP9 P55211 2/20 0.40
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL20052420 1.00 CASP3 (0.47) CASP3CASP7CASP1MMP9MMP8
SCHEMBL20052446 0.92 CASP3 (0.43) CASP3CASP7CASP1ECE1MME
SCHEMBL20356041 0.92 CASP3 (0.43) CASP3CASP7CASP1ECE1MME
SCHEMBL19944793 0.91 CASP3 (0.45) CASP3CASP7CASP1MMP9MMP8
SCHEMBL20052454 0.91 CASP3 (0.45) CASP3CASP7CASP1MMP9MMP8
SCHEMBL15462692 0.89 MMP9 (0.46) CASP3MMP9MMP8IDO1REN
SCHEMBL15462695 0.87 CASP3 (0.65) CASP3CASP7CASP1CASP9
SCHEMBL20355913 0.87 CASP3 (0.65) CASP3CASP7CASP1CASP9
SCHEMBL20355912 0.87 CASP3 (0.65) CASP3CASP7CASP1CASP9
SCHEMBL20052371 0.87 CASP3 (0.65) CASP3CASP7CASP1CASP9

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-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
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 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 146/4885CASP7 102/4885CASP1 25/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 CASP3 171/4885CASP7 129/4885CASP1 29/4885

“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.