SCHEMBL22390651

SCHEMBL22390651

CC(C)(C)OC(=O)NC(CCOCc1ccsc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.57
▸ CTSK P43235 4/20 0.57
▸ PPARA Q07869 9/20 0.56
▸ PPARG P37231 8/20 0.54
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGB6 P18564 1/20 0.44
▸ PPARD Q03181 2/20 0.43
▸ SLC1A3 P43003 2/20 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC1A1 P43005 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41

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
SCHEMBL22390650 1.00 CTSS (0.57) CTSSCTSKPPARAPPARGITGB3
SCHEMBL22390723 0.90 CTSS (0.53) CTSSCTSKPPARAPPARGITGB3
SCHEMBL22390724 0.90 CTSS (0.53) CTSSCTSKPPARAPPARGITGB3
SCHEMBL30220129 0.88 CTSK (0.52) CTSSCTSKPPARAPPARGITGB3
SCHEMBL955526 0.85 PPARA (0.74) CTSSCTSKPPARAPPARGACE
SCHEMBL1312604 0.85 PPARA (0.74) CTSSCTSKPPARAPPARGACE
SCHEMBL955527 0.85 PPARA (0.74) CTSSCTSKPPARAPPARGACE
SCHEMBL29013104 0.85 CTSS (0.56) CTSSCTSKPPARAPPARGITGB3
SCHEMBL1514326 0.84 CTSS (0.73) CTSSCTSKPPARAPPARGITGB3
SCHEMBL9955736 0.84 CTSS (0.73) CTSSCTSKPPARAPPARGITGB3

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 5 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
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 CTSS 66/4885CTSK 68/4885PPARA 3631/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 CTSS 66/4885CTSK 68/4885PPARA 3631/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CTSS 66/4885CTSK 68/4885PPARA 3631/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CTSS 66/4885CTSK 68/4885PPARA 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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