SCHEMBL18782009

SCHEMBL18782009

CC(C)S(=O)(=O)/C=C/[C@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.43
▸ CYP2D6 P10635 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38

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
SCHEMBL7880496 0.87 CYP2D6 (0.48) CTSKCYP2D6CA1CA2CA7
SCHEMBL15459291 0.87 CTSK (0.45) CTSKCYP2D6
SCHEMBL19015897 0.87 CYP2D6 (0.48) CTSKCYP2D6CA1CA2CA7
SCHEMBL9961233 0.80 CTSK (0.43) CTSKCYP2D6
SCHEMBL19944459 0.80 CTSK (0.43) CTSK
SCHEMBL18782008 0.79 CTSK (0.47) CTSK
SCHEMBL3498487 0.78 CTSK (0.63) CTSKCYP2D6CA1CA2CA7
SCHEMBL13471217 0.78 CTSK (0.63) CTSKCYP2D6CA1CA2CA7
SCHEMBL19944483 0.74 CTSK (0.44) CTSK
SCHEMBL18471339 0.74 CTSK (0.43) CTSKCYP2D6

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-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — 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 (2 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-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CTSK 83/4885CYP2D6 1923/4885CA1 507/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CTSK 83/4885CYP2D6 1923/4885CA1 507/4885

“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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