SCHEMBL78289

SCHEMBL78289

CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F)n1ccc2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.57
CASP6 P55212 15/20 0.57
CASP8 Q14790 15/20 0.57
CASP1 P29466 4/20 0.57
CASP7 P55210 1/20 0.49

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
SCHEMBL13793050 1.00 CASP3 (0.57) CASP3CASP6CASP8CASP1CASP7
SCHEMBL78290 1.00 CASP3 (0.57) CASP3CASP6CASP8CASP1CASP7
SCHEMBL78288 1.00 CASP3 (0.57) CASP3CASP6CASP8CASP1CASP7
SCHEMBL13638261 0.90 CASP1 (0.47) CASP3CASP6CASP8CASP1
SCHEMBL13638173 0.90 CASP1 (0.47) CASP3CASP6CASP8CASP1
SCHEMBL8323940 0.90 CASP1 (0.47) CASP3CASP6CASP8CASP1
SCHEMBL3579369 0.90 CASP1 (0.48) CASP3CASP6CASP8CASP1CASP7
SCHEMBL79920 0.90 CASP1 (0.48) CASP3CASP6CASP8CASP1CASP7
SCHEMBL79918 0.90 CASP1 (0.48) CASP3CASP6CASP8CASP1CASP7
SCHEMBL79919 0.90 CASP1 (0.48) CASP3CASP6CASP8CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-8071618-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-06 US disclosed
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 US disclosed
US-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 US disclosed
US-20100137359-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-7612091-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
US-20040192612-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 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-20100137359-A1 CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, CASP5 CASP3 1/4885CASP6 5/4885CASP8 10/4885
US-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 CASP3 4/4885CASP6 8/4885CASP8 10/4885
US-20040192612-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP5 CASP3 2/4885CASP6 5/4885CASP8 12/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 CASP3 3/4885CASP6 7/4885CASP8 11/4885

“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.