SCHEMBL1750899

SCHEMBL1750899

CCc1ccccc1OCC=C[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.39
CASP1 P29466 2/20 0.34
ELANE P08246 2/20 0.32
CAPN1 P07384 2/20 0.31
ACACB O00763 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HRH1 P35367 2/20 0.31
SLC1A5 Q15758 1/20 0.31
SSTR1 P30872 1/20 0.30
SSTR4 P31391 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12021136 1.00 XIAP (0.39) XIAPCASP1ELANECAPN1ACACB
SCHEMBL19696653 1.00 XIAP (0.39) XIAPCASP1ELANECAPN1ACACB
SCHEMBL12021131 0.95 ACACB (0.35) XIAPCASP1CAPN1ACACBALDH1A1
SCHEMBL12021160 0.88 DPP4 (0.37) SLC1A5SSTR1SSTR4MEN1KMT2A
SCHEMBL1751303 0.88 DPP4 (0.37) SLC1A5SSTR1SSTR4MEN1KMT2A
SCHEMBL14001843 0.88 ELANE (0.38) ELANECAPN1HRH1MEN1KMT2A
SCHEMBL1751631 0.88 ELANE (0.38) ELANECAPN1HRH1MEN1KMT2A
SCHEMBL12529480 0.88 ELANE (0.38) ELANECAPN1HRH1MEN1KMT2A
SCHEMBL12529482 0.88 MEN1 (0.36) ELANEHRH1MEN1KMT2A
SCHEMBL12021128 0.87 MEN1 (0.33) SSTR1SSTR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 US 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 (6 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 XIAP 4/4885CASP1 84/4885ELANE 426/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 XIAP 4/4885CASP1 86/4885ELANE 435/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 XIAP 4/4885CASP1 84/4885ELANE 426/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 XIAP 5/4885CASP1 89/4885ELANE 397/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 XIAP 5/4885CASP1 89/4885ELANE 397/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 XIAP 5/4885CASP1 89/4885ELANE 397/4885

“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.