SCHEMBL30220130

SCHEMBL30220130

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)COc1ccnc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ CASP8 Q14790 2/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ KLK7 P49862 4/20 0.44
▸ KLK5 Q9Y337 3/20 0.44
▸ CASP6 P55212 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ PPARA Q07869 2/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL22404787 1.00 CASP1 (0.45) CASP1CASP3CASP8CASP9KLK7
SCHEMBL22390726 0.87 CASP3 (0.46) CASP1CASP3CASP8CASP9CASP6
SCHEMBL22390722 0.87 CASP3 (0.46) CASP1CASP3CASP8CASP9CASP6
SCHEMBL22404784 0.81 CASP3 (0.43) CASP1CASP3CASP8CASP9CASP6
SCHEMBL22404815 0.81 KLK7 (0.46) CASP1KLK7KLK5ACEPPARA
SCHEMBL30220140 0.80 CASP3 (0.51) CASP1CASP3CASP8CASP9CASP6
SCHEMBL22404781 0.80 CASP3 (0.51) CASP1CASP3CASP8CASP9CASP6
SCHEMBL25984471 0.79 PPARA (0.51) CASP1KLK7KLK5ACEPPARA
SCHEMBL22404667 0.78 KLK7 (0.47) CASP1CASP3CASP8KLK7KLK5
SCHEMBL376018 0.77 PPARA (0.61) KLK7KLK5ACEPPARACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935042-B1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC (KR) 2024-08-28 — — EP disclosed
US-12071412-B2 Caspase inhibitors and methods of use thereof NOBO MEDICINE INC. (KR) 2024-08-27 — — US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 — — US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 — — 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 (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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 CASP1 1/4885CASP3 2/4885CASP8 9/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CASP1 1/4885CASP3 2/4885CASP8 9/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CASP1 1/4885CASP3 2/4885CASP8 9/4885

“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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