SCHEMBL7886267

SCHEMBL7886267

CC(C)(C)OC(=O)C[C@H](N)/C=C/S(=O)(=O)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CTSK P43235 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CTSL P07711 3/20 0.31
▸ CTSB P07858 3/20 0.31
▸ CTSD P07339 2/20 0.31
▸ CTSS P25774 2/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL7882951 0.81 CASP3 (0.47) CASP3USP2SMN1; SMN2CTSKCTSL
SCHEMBL7357649 0.76 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7357659 0.76 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7357655 0.76 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19015818 0.76 USP2 (0.38) USP2SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL9961230 0.74 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9961101 0.73 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9961247 0.70 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7713974 0.69 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7887287 0.68 CTSB (0.42) CASP3CTSKCTSLCTSBCTSS

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 18 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
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 — — US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 — — US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 — — US 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-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 — — US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 — — US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 — — US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 — — 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
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 — — US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 — — US disclosed
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 — — WO disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 — — 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 (5 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-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof CASP3, CASP1, HTRA2 CASP3 1/4885USP2 1441/4885SMN1; SMN2 214/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 CASP3 1/4885USP2 1441/4885SMN1; SMN2 214/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CASP3 6/4885USP2 1480/4885SMN1; SMN2 211/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CASP3 2/4885USP2 1514/4885SMN1; SMN2 149/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CASP3 2/4885USP2 1514/4885SMN1; SMN2 149/4885

“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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