SCHEMBL20052380

SCHEMBL20052380

CC(C)C(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 14/20 0.62
▸ CASP7 P55210 8/20 0.62
▸ CASP1 P29466 8/20 0.61
▸ CASP9 P55211 3/20 0.58
▸ OPRD1 P41143 3/20 0.54
▸ CASP4 P49662 2/20 0.51
▸ 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
SCHEMBL15462658 1.00 CASP3 (0.62) CASP3CASP7CASP1CASP9OPRD1
SCHEMBL29946109 0.87 CASP1 (0.61) CASP3CASP7CASP1OPRD1
SCHEMBL29408005 0.83 OPRD1 (0.68) CASP1OPRD1
SCHEMBL4735755 0.80 OPRD1 (0.65) CASP1OPRD1
SCHEMBL31404908 0.79 OPRD1 (0.66) CASP1OPRD1
SCHEMBL4735748 0.79 OPRD1 (0.61) CASP1OPRD1
SCHEMBL15462665 0.78 CASP3 (0.93) CASP3CASP7CASP1CASP9CASP4
SCHEMBL478003 0.78 OPRD1 (0.62) CASP1OPRD1
SCHEMBL31265324 0.78 OPRD1 (0.56) OPRD1
SCHEMBL22644029 0.78 OPRD1 (0.55) CASP1OPRD1

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.

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