SCHEMBL3471009

SCHEMBL3471009

CC(=O)Nc1c(Cl)cc(C(=O)NC(C)C(=O)N2CCCC2C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.41
FAP Q12884 7/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
NPC1 O15118 1/20 0.39
ACE P12821 2/20 0.38
CASP1 P29466 1/20 0.38
KLK5 Q9Y337 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ROCK2 O75116 1/20 0.37
CMA1 P23946 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3470380 0.88 PREP (0.43) PREPFAPDPP8DPP9NPC1
SCHEMBL4195456 0.88 CASP1 (0.43) PREPFAPDPP8DPP9NPC1
SCHEMBL3469774 0.86 ACE (0.48) PREPFAPDPP8DPP9ACE
SCHEMBL3471227 0.83 CASP1 (0.55) PREPFAPDPP8DPP9NPC1
SCHEMBL3470085 0.81 DRD4 (0.43) PREPFAPKLK5ROCK2
SCHEMBL29918105 0.80 PREP (0.61) PREPFAPDPP8DPP9ACE
SCHEMBL3469542 0.80 ROCK2 (0.42) PREPFAPDPP8DPP9NPC1
SCHEMBL11118565 0.79 CA1 (0.54) PREPFAPCASP1ALDH1A1LMNA
SCHEMBL11125570 0.79 CA1 (0.40) PREPFAPDPP8DPP9ACE
SCHEMBL13928296 0.77 CASP1 (0.48) PREPFAPDPP8DPP9ACE

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-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
EP-2261234-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261232-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261233-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
EP-2011800-A2 Inhibitors of caspase Vertex Pharmaceuticals Incorporated (US) 2009-01-07 EP disclosed
EP-1064298-B1 INHIBITORS OF CASPASES VERTEX PHARMA (US) 2008-10-08 EP disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
US-6531474-B1 Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock VERTEX PHARMACEUTICALS INCORPORATED 2003-03-11 US 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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 PREP 203/4885FAP 1721/4885DPP8 590/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 PREP 201/4885FAP 2019/4885DPP8 559/4885

“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.