SCHEMBL19944668

SCHEMBL19944668

CCOC(=O)/C(Cl)=C\[C@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL19944871 0.88 CYP2D6 (0.43) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL13471107 0.88 CYP2D6 (0.43) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL19944483 0.78 CTSK (0.44) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL18471339 0.78 CTSK (0.43) CTSK
SCHEMBL19944461 0.77 CYP2D6 (0.33) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL1401278 0.77 CTSK (0.57) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL27640544 0.77 CTSK (0.57) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL3498487 0.76 CTSK (0.63) CTSK
SCHEMBL13471217 0.76 CTSK (0.63) CTSK
SCHEMBL20349139 0.72 CYP2D6 (0.35) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2021-04-13 — — US disclosed
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 — — US disclosed
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 — — EP 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-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 CTSK 138/4885CYP1A2 2156/4885CYP2C9 1709/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 CTSK 128/4885CYP1A2 2138/4885CYP2C9 1705/4885

“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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