SCHEMBL7888461

SCHEMBL7888461

C=CCOC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1Cc2ccccc2C1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.46
CASP7 P55210 2/20 0.41
CASP1 P29466 1/20 0.41
EPHX2 P34913 1/20 0.38
PIN1 Q13526 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29609769 0.87 CASP3 (0.55) CASP3EPHX2PIN1KMT2A
SCHEMBL19015950 0.83 CASP3 (0.50) CASP3EPHX2PIN1KMT2A
SCHEMBL7882598 0.83 CASP3 (0.50) CASP3EPHX2PIN1KMT2A
SCHEMBL29504606 0.80 CASP3 (0.49) CASP3EPHX2PIN1KMT2A
SCHEMBL7885580 0.79 CASP3 (0.43) CASP3
SCHEMBL29609352 0.79 CASP3 (0.43) CASP3
SCHEMBL30970218 0.78 MDM4 (0.48) CASP3EPHX2KMT2A
SCHEMBL20639402 0.78 MDM4 (0.48) CASP3EPHX2KMT2A
SCHEMBL800168 0.78 MDM4 (0.48) CASP3EPHX2KMT2A
SCHEMBL120533 0.78 MDM4 (0.48) CASP3EPHX2KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 EP 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
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 (2 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-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

“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.