SCHEMBL3470060

SCHEMBL3470060

Cc1cc(C(=O)NC(C)C(=O)N2CCCC2C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.53
LMNA P02545 1/20 0.53
ACE2 Q9BYF1 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
PREP P48147 1/20 0.48
FAP Q12884 1/20 0.48

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
SCHEMBL3471742 0.90 ACE (0.54) ACELMNAACE2PREPFAP
SCHEMBL3470067 0.84 ACE (0.49) ACELMNAACE2PREPFAP
SCHEMBL3471023 0.84 ACE (0.46) ACELMNAACE2SMN1; SMN2PREP
SCHEMBL3470633 0.83 SMPD1 (0.54) ACELMNAACE2
SCHEMBL3470516 0.81 ACE (0.52) ACELMNAACE2PREPFAP
SCHEMBL11435575 0.81 ACE (0.71) ACEACE2PREPFAP
SCHEMBL29749309 0.81 ACE (0.71) ACEACE2PREPFAP
SCHEMBL3472327 0.81 ACE (0.71) ACEACE2PREPFAP
SCHEMBL22209468 0.79 PREP (0.72) ACELMNAACE2SMN1; SMN2PREP
SCHEMBL7871516 0.79 PREP (0.72) ACELMNAACE2SMN1; SMN2PREP

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 13 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-2261235-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-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
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
EP-1064298-A2 INHIBITORS OF CASPASES Vertex Pharmaceuticals Incorporated (US) 2001-01-03 EP disclosed
WO-1999047545-A2 INHIBITORS OF CASPASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-23 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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 ACE 344/4885LMNA 613/4885ACE2 798/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 ACE 339/4885LMNA 676/4885ACE2 822/4885

“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.