SCHEMBL7878023

SCHEMBL7878023

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CTSK P43235 15/20 0.41
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CASP3 P42574 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL7400999 0.91 CYP2D6 (0.47) CYP2D6CTSKCA2CA1CA7
SCHEMBL7351268 0.91 CYP2D6 (0.47) CYP2D6CTSKCA2CA1CA7
SCHEMBL7351273 0.91 CYP2D6 (0.47) CYP2D6CTSKCA2CA1CA7
SCHEMBL7351260 0.91 CYP2D6 (0.47) CYP2D6CTSKCA2CA1CA7
SCHEMBL7888162 0.84 CTSK (0.43) CYP2D6CTSKCA2CA1CA7
SCHEMBL7885775 0.82 CTSK (0.49) CYP2D6CTSKCA2CA1CA7
SCHEMBL9961216 0.81 CYP2D6 (0.46) CYP2D6CTSKCA2CA1CA7
SCHEMBL9961171 0.81 CYP1A2 (0.44) CTSKCASP3
SCHEMBL19015897 0.80 CYP2D6 (0.48) CYP2D6CTSKCA2CA1CA7
SCHEMBL7880496 0.80 CYP2D6 (0.48) CYP2D6CTSKCA2CA1CA7

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 13 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
EP-2697246-B1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-03-07 EP disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 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
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 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 (4 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 CYP2D6 1664/4885CTSK 90/4885CA2 788/4885
US-20140038903-A1 Selective Cysteine Protease Inhibitors and Uses Thereof SERPINB1, SERPINE1, CASP5 CYP2D6 1585/4885CTSK 138/4885CA2 1932/4885
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 CYP2D6 1585/4885CTSK 138/4885CA2 1932/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 CYP2D6 1568/4885CTSK 128/4885CA2 1968/4885

“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.