SCHEMBL13471107

SCHEMBL13471107

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.43
▸ CTSK P43235 14/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL19944871 1.00 CYP2D6 (0.43) CYP2D6CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL19944668 0.88 CTSK (0.43) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL19944461 0.87 CYP2D6 (0.33) CYP2D6CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL20349139 0.80 CYP2D6 (0.35) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15459310 0.79 HDAC3 (0.34) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL9961219 0.78 CYP2D6 (0.44) CYP2D6CTSK
SCHEMBL9961170 0.78 CTSK (0.43) CYP2D6CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL9961200 0.78 CTSK (0.43) CYP2D6CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL13471117 0.76 CYP2D6 (0.45) CYP2D6CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL7884932 0.76 CYP2D6 (0.45) CYP2D6CTSK

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 8 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
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 — — US disclosed
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 — — US disclosed
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 — — US disclosed
US-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof NEW WORLD LABORATORIES, INC. (CA) 2014-02-06 — — US disclosed
US-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof NEW WORLD LABORATORIES, INC. (CA) 2014-02-06 — — US disclosed
WO-2012140500-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-10-18 — — WO 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 (3 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-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof SERPINB1, SERPINE1, CASP5 CYP2D6 1585/4885CTSK 138/4885CYP1A2 2156/4885
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 CYP2D6 1585/4885CTSK 138/4885CYP1A2 2156/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 CYP2D6 1568/4885CTSK 128/4885CYP1A2 2138/4885

“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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