SCHEMBL818513

SCHEMBL818513

CC(=O)OC1CCN(C(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)C1Cc1c(Br)[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CACNA1B Q00975 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MCL1 Q07820 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CCKAR P32238 1/20 0.34

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
SCHEMBL820556 1.00 CTSL (0.37) CTSLCACNA1BMEN1KMT2AMCL1
SCHEMBL818270 0.84 DPP8 (0.37) MEN1KMT2AMCL1
SCHEMBL820554 0.83 MCL1 (0.35) MEN1KMT2AMCL1
SCHEMBL818582 0.83 MCL1 (0.35) MEN1KMT2AMCL1
SCHEMBL13787013 0.82 AAK1 (0.33) CTSLCACNA1BAAK1
SCHEMBL817543 0.80 CAPN1 (0.35) CTSL
SCHEMBL15501147 0.70 BIRC3 (0.39)
SCHEMBL12405720 0.70 BIRC3 (0.39)
SCHEMBL820709 0.70 KDM4E (0.39) MEN1KMT2A
SCHEMBL12474013 0.68 BIRC3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
EP-2242362-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-10-27 EP disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 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 (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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 CTSL 604/4885CACNA1B 3395/4885MEN1 1940/4885

“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.