SCHEMBL7966457

SCHEMBL7966457

C=CCOC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NS(=O)(=O)c1ccc(C)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 3/20 0.47
▸ CASP3 P42574 9/20 0.45
▸ CASP7 P55210 6/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP9 P55211 2/20 0.45
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GFER P55789 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ NPY5R Q15761 1/20 0.37

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
SCHEMBL18473182 0.86 ADAMTS4 (0.57) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL7890390 0.86 ADAMTS4 (0.57) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL19015891 0.85 NPY5R (0.41) ADAMTS4SMN1; SMN2GFERKDM4ECYSLTR1
SCHEMBL7969461 0.80 CASP3 (0.41) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL7968633 0.80 CASP3 (0.41) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL18781745 0.80 CASP3 (0.41) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL18472361 0.79 ADAMTS4 (0.57) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL7886597 0.78 CASP3 (0.69) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL18471652 0.78 CASP3 (0.69) ADAMTS4CASP3CASP7CASP1CASP9
SCHEMBL7879499 0.77 TDP1 (0.55) ADAMTS4GFERKDM4E

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 10 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-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-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-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
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 ADAMTS4 322/4885CASP3 1/4885CASP7 9/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 ADAMTS4 322/4885CASP3 1/4885CASP7 9/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 ADAMTS4 166/4885CASP3 6/4885CASP7 13/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 ADAMTS4 208/4885CASP3 2/4885CASP7 7/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 ADAMTS4 208/4885CASP3 2/4885CASP7 7/4885

“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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