SCHEMBL9409863

SCHEMBL9409863

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2CC1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.56
ACE P12821 4/20 0.56
MME P08473 1/20 0.52

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
SCHEMBL16464700 1.00 XIAP (0.56) XIAPACEMME
SCHEMBL9409870 1.00 XIAP (0.56) XIAPACEMME
SCHEMBL16465568 1.00 XIAP (0.56) XIAPACEMME
SCHEMBL7814933 0.90 XIAP (0.59) XIAPACE
SCHEMBL5377148 0.90 ACE (0.60) ACEMME
SCHEMBL17044930 0.84 XIAP (0.54) XIAPACE
SCHEMBL16466352 0.84 XIAP (0.54) XIAPACE
SCHEMBL16466347 0.84 XIAP (0.54) XIAPACE
SCHEMBL7269341 0.84 ACE (0.57) XIAPACEMME
SCHEMBL3729400 0.84 ACE (0.57) XIAPACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP 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 (1 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

“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.