SCHEMBL9929687

SCHEMBL9929687

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.37
▸ CTSS P25774 6/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ PPARG P37231 4/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ PPARD Q03181 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33

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
SCHEMBL9940063 0.81 CTSK (0.38) CTSKCTSSCTSLCTSBCYP2D6
SCHEMBL9929780 0.75 CTSK (0.39) CTSKCTSSCTSLCTSBPPARG
SCHEMBL14984731 0.74 CTSK (0.49) CTSKCTSSCTSLCTSBPPARG
SCHEMBL168105 0.74 CTSK (0.49) CTSKCTSSCTSLCTSBPPARG
SCHEMBL1486220 0.72 CTSS (0.50) CTSKCTSSCTSLCTSBPPARG
SCHEMBL3323682 0.72 CTSS (0.50) CTSKCTSSCTSLCTSBPPARG
SCHEMBL688341 0.72 CTSS (0.50) CTSKCTSSCTSLCTSBPPARG
SCHEMBL30385524 0.71 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP2D6
SCHEMBL17921680 0.71 CTSK (0.47) CTSKCTSSCTSLCTSBPPARG
SCHEMBL1235160 0.71 CTSK (0.49) CTSKCTSSCTSLCTSBPPARG

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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