SCHEMBL9930114

SCHEMBL9930114

CC(C)(C)C=C(Cl)CS(=O)(=O)C(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.36
▸ CTSK P43235 7/20 0.36
▸ PPARA Q07869 8/20 0.36
▸ PPARG P37231 7/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL9929801 0.79 CTSK (0.39) CTSSCTSKPPARAPPARGMMP13
SCHEMBL9929660 0.74 CTSK (0.43) CTSSCTSKCTSLCTSBCA2
SCHEMBL3323682 0.71 CTSS (0.50) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1486220 0.71 CTSS (0.50) CTSSCTSKPPARAPPARGCTSL
SCHEMBL688341 0.71 CTSS (0.50) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1396553 0.70 MMP13 (0.44) CTSSCTSKPPARAPPARGABCB1
SCHEMBL17921680 0.70 CTSK (0.47) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1235160 0.70 CTSK (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL4279525 0.70 CTSK (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL14984731 0.70 CTSK (0.49) CTSSCTSKPPARAPPARGCTSL

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 CTSS 73/4885CTSK 90/4885PPARA 4770/4885

“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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