SCHEMBL7878047

SCHEMBL7878047

C=CCOC(=O)[C@@H](NC(=O)[C@@H](N)C1Cc2ccccc2C1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.37
CASP7 P55210 2/20 0.37
CASP1 P29466 2/20 0.37
XIAP P98170 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OXTR P30559 1/20 0.35
PSMB5 P28074 1/20 0.34
CYP19A1 P11511 1/20 0.34
GRM7 Q14831 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
SCHEMBL18471726 1.00 CASP3 (0.37) CASP3CASP7CASP1XIAPCYP3A4
SCHEMBL19015920 0.79 ALDH1A1 (0.42) CASP1CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL7880434 0.79 ALDH1A1 (0.42) CASP1CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL7882594 0.78 CYP3A4 (0.38) CASP1CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL19015735 0.78 CYP3A4 (0.38) CASP1CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL7888461 0.77 CASP3 (0.46) CASP3CASP7CASP1KMT2A
SCHEMBL9962246 0.74 CASP3 (0.69) CASP3CASP7CASP1
SCHEMBL7882928 0.73 CASP3 (0.70) CASP3CASP7CASP1
SCHEMBL7878105 0.72 CTSD (0.44) CASP3CASP1OPRD1OPRK1
SCHEMBL23771805 0.71 ERAP2 (0.49) OPRM1OPRD1OPRK1

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 11 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-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 1/4885CASP7 9/4885CASP1 2/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 CASP3 1/4885CASP7 9/4885CASP1 2/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 CASP3 6/4885CASP7 13/4885CASP1 1/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 CASP3 2/4885CASP7 7/4885CASP1 1/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CASP3 2/4885CASP7 7/4885CASP1 1/4885

“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.