SCHEMBL3722659

SCHEMBL3722659

CNC(C)C(=O)NC(C(=O)N1c2ccccc2CC1C(=O)O)C(C)C

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.82
ACE P12821 4/20 0.57
MME P08473 1/20 0.56

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
SCHEMBL16464915 1.00 XIAP (0.82) XIAPACEMME
SCHEMBL16482995 0.91 XIAP (0.82) XIAPACEMME
SCHEMBL17052780 0.90 XIAP (1.00) XIAP
Hydrochloric Acid SCHEMBL16464354 0.89 XIAP (0.98) XIAP
Hydrochloric Acid SCHEMBL16464346 0.89 XIAP (0.98) XIAP
SCHEMBL20459295 0.86 XIAP (0.74) XIAP
SCHEMBL16463734 0.86 XIAP (1.00) XIAPACEMME
SCHEMBL16463409 0.86 XIAP (0.84) XIAPACEMME
SCHEMBL16463411 0.86 XIAP (0.84) XIAPACEMME
SCHEMBL7814933 0.84 XIAP (0.59) XIAPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403768-B2 Indolines HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
US-20150246882-A1 INDOLINES HOFFMANN-LA ROCHE INC. 2015-09-03 US claimed
EP-2906535-A1 INDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
WO-2014056755-A1 INDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
EP-2906535-B1 INDOLINES HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
US-9403768-B2 Indolines HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US disclosed
US-20150246882-A1 INDOLINES HOFFMANN-LA ROCHE INC. 2015-09-03 US disclosed
EP-2906535-A1 INDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014056755-A1 INDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO 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
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP 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

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-20150246882-A1 INDOLINES IDO1, INMT, CCNY XIAP 1780/4885ACE 3374/4885MME 3175/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS XIAP 141/4885ACE 3012/4885MME 1097/4885

“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.