SCHEMBL30220129

SCHEMBL30220129

CC(C)(C)OC(=O)N[C@@H](CCOCc1ccsc1)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.52
▸ CTSS P25774 7/20 0.52
▸ PPARA Q07869 4/20 0.45
▸ PPARG P37231 3/20 0.43
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CACNA1B Q00975 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35

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
SCHEMBL22390651 0.88 CTSS (0.57) CTSKCTSSPPARAPPARGITGB3
SCHEMBL22390650 0.88 CTSS (0.57) CTSKCTSSPPARAPPARGITGB3
SCHEMBL22390724 0.87 CTSS (0.53) CTSKCTSSPPARAPPARGITGB3
SCHEMBL22390723 0.87 CTSS (0.53) CTSKCTSSPPARAPPARGITGB3
SCHEMBL22404743 0.85 PPARA (0.61) CTSKCTSSPPARAPPARGACE
SCHEMBL30220168 0.84 PPARA (0.52) CTSKCTSSPPARAPPARGITGB3
SCHEMBL22390749 0.84 SLC1A3 (0.41) CTSKCTSS
SCHEMBL22390748 0.84 SLC1A3 (0.41) CTSKCTSS
SCHEMBL30220182 0.81 CTSK (0.44) CTSKCTSSPPARAPPARGCTSL
SCHEMBL7345487 0.80 CTSK (0.51) CTSKCTSSPPARA

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 CTSK 68/4885CTSS 66/4885PPARA 3631/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CTSK 68/4885CTSS 66/4885PPARA 3631/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CTSK 68/4885CTSS 66/4885PPARA 3631/4885

“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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