SCHEMBL13279097

SCHEMBL13279097

C=CS(=O)(=O)CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.69
CASP1 P29466 5/20 0.69
CASP7 P55210 4/20 0.69
CASP9 P55211 3/20 0.60
CASP4 P49662 1/20 0.60
CASP5 P51878 1/20 0.60
CASP6 P55212 1/20 0.60
CASP8 Q14790 1/20 0.60
CASP10 Q92851 1/20 0.60
SIRT5 Q9NXA8 1/20 0.56
NMBR P28336 2/20 0.54
REN P00797 2/20 0.54
CTSB P07858 2/20 0.52
CTSK P43235 2/20 0.52
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49

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
SCHEMBL3725735 0.85 CASP3 (0.62) CASP3CASP1CASP7CASP9CASP4
SCHEMBL15462653 0.85 CASP3 (0.92) CASP3CASP1CASP7CASP9CASP4
SCHEMBL15455969 0.83 CASP3 (0.63) CASP3CASP1CASP7CASP9CASP4
SCHEMBL12829768 0.82 CASP3 (1.00) CASP3CASP1CASP7CASP9CASP4
SCHEMBL20609292 0.82 CASP3 (1.00) CASP3CASP1CASP7CASP9CASP4
SCHEMBL1396554 0.81 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP4
SCHEMBL19015785 0.80 CASP3 (0.81) CASP3CASP1CASP7CASP9CASP4
SCHEMBL16376111 0.80 CASP3 (0.92) CASP3CASP1CASP7CASP9CASP4
SCHEMBL22346514 0.79 NMBR (0.69) CASP3CASP1CASP7CASP9CASP4
SCHEMBL22346513 0.79 NMBR (0.69) CASP3CASP1CASP7CASP9CASP4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697246-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF Novagenesis Foundation (CH) 2014-02-19 EP claimed
US-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof NEW WORLD LABORATORIES, INC. (CA) 2014-02-06 US claimed
WO-2012140500-A9 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2013-10-24 WO claimed
WO-2012140500-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-10-18 WO claimed
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
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 EP disclosed
EP-2697246-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF Novagenesis Foundation (CH) 2014-02-19 EP disclosed
US-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof NEW WORLD LABORATORIES, INC. (CA) 2014-02-06 US disclosed
WO-2012140500-A9 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2013-10-24 WO disclosed
WO-2012140500-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-10-18 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 (3 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-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof SERPINB1, SERPINE1, CASP5 CASP3 146/4885CASP1 25/4885CASP7 102/4885
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 CASP3 146/4885CASP1 25/4885CASP7 102/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 CASP3 171/4885CASP1 29/4885CASP7 129/4885

“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.