SCHEMBL22404792

SCHEMBL22404792

CC(C)(C)OC(=O)N[C@@H](CCOCc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.52
▸ PPARG P37231 1/20 0.48
▸ CTSS P25774 1/20 0.47
▸ CASP3 P42574 14/20 0.47
▸ CASP8 Q14790 11/20 0.47
▸ CASP6 P55212 9/20 0.47
▸ KLK7 P49862 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP9 P55211 2/20 0.44
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL30220135 0.91 CACNA1B (0.44) PPARAPPARGCTSSCASP3CASP8
SCHEMBL30220182 0.88 CTSK (0.44) PPARAPPARGCTSSCASP3CASP8
SCHEMBL22390737 0.87 CASP3 (0.49) CTSSCASP3CASP8CASP6CASP1
SCHEMBL22390740 0.87 CASP3 (0.49) CTSSCASP3CASP8CASP6CASP1
SCHEMBL22404667 0.87 KLK7 (0.47) PPARACASP3CASP8CASP6KLK7
SCHEMBL22404745 0.86 KLK7 (0.46) PPARACTSSCASP3CASP8CASP6
SCHEMBL22862226 0.85 KLK7 (0.54) PPARACASP3CASP8CASP6KLK7
SCHEMBL22404750 0.84 CTSK (0.47) CTSSCASP3CASP8CASP6
SCHEMBL22390694 0.82 CASP3 (0.48) CTSSCASP3CASP8CASP6
SCHEMBL22390697 0.82 CASP3 (0.48) CTSSCASP3CASP8CASP6

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 7 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-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
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 — — US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 — — 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 (4 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 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885

“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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