SCHEMBL9929726

SCHEMBL9929726

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)S(=O)(=O)C=Cc1ccccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.41
▸ CTSS P25774 8/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ MMP13 P45452 2/20 0.40
▸ PPARA Q07869 5/20 0.39
▸ PPARG P37231 4/20 0.39
▸ PPARD Q03181 2/20 0.39

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
SCHEMBL9929837 0.84 CTSK (0.40) CTSKCTSSCTSLCTSBMMP13
SCHEMBL1396437 0.78 CASP1 (0.34) —
SCHEMBL9929660 0.78 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL1396553 0.69 MMP13 (0.44) CTSKCTSSCTSLCTSBMMP13
SCHEMBL8574599 0.69 CTSS (0.61) CTSKCTSSCTSLCTSBPPARA
SCHEMBL8574604 0.69 CTSS (0.61) CTSKCTSSCTSLCTSBPPARA
SCHEMBL9930115 0.67 MMP13 (0.44) CTSKCTSSCTSLCTSBMMP13
SCHEMBL16288620 0.67 PPARA (0.49) CTSKCTSSCTSLCTSBPPARA
SCHEMBL15083140 0.67 PPARA (0.49) CTSKCTSSCTSLCTSBPPARA
SCHEMBL5033775 0.67 PPARA (0.58) CTSKCTSSCTSLCTSBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 — — US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 — — 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 (1 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-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CTSK 90/4885CTSS 73/4885CTSL 30/4885

“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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