SCHEMBL3470867

SCHEMBL3470867

CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.56
FKBP1A P62942 7/20 0.56
KLK5 Q9Y337 1/20 0.55
CMA1 P23946 5/20 0.53
ACE P12821 1/20 0.52
PREP P48147 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 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
SCHEMBL13951237 1.00 CTSL (0.56) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL8133863 1.00 CTSL (0.56) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL12023625 0.92 ALDH1A1 (0.53) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL478151 0.92 ALDH1A1 (0.53) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL19198454 0.91 FKBP1A (0.54) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL10882017 0.90 PREP (0.61) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL7265704 0.90 PREP (0.61) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL9699149 0.90 PREP (0.61) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL28545846 0.90 PREP (0.61) CTSLFKBP1AKLK5CMA1ACE
SCHEMBL24837864 0.90 FKBP1A (0.55) FKBP1AALDH1A1CYP3A4TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
US-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2261233-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-2261235-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
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US 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
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO 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 (3 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 CTSL 89/4885FKBP1A 512/4885KLK5 2074/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS CTSL 1072/4885FKBP1A 1684/4885KLK5 2605/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 CTSL 93/4885FKBP1A 481/4885KLK5 2108/4885

“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.