SCHEMBL1751484

SCHEMBL1751484

CCc1ccccc1OCCC[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 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MC4R P32245 3/20 0.34
MC3R P41968 3/20 0.34
MC1R Q01726 3/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ELANE P08246 1/20 0.32
ACACB O00763 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL12037500 1.00 XIAP (0.39) XIAPL3MBTL1KDM4EMEN1KMT2A
SCHEMBL12021172 0.94 L3MBTL1 (0.37) XIAPL3MBTL1KDM4EMEN1KMT2A
SCHEMBL17213721 0.91 XIAP (0.35) XIAPL3MBTL1KDM4EMEN1KMT2A
SCHEMBL12021327 0.87 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL4816625 0.87 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL1750041 0.87 ELANE (0.39) MEN1KMT2AELANE
SCHEMBL12529490 0.87 ELANE (0.39) MEN1KMT2AELANE
SCHEMBL12529508 0.87 MEN1 (0.37) MEN1KMT2AELANE
SCHEMBL12021130 0.85 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL1750899 0.83 XIAP (0.39) XIAPMEN1KMT2AFNTAFNTB

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 4/4885L3MBTL1 434/4885KDM4E 3837/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 XIAP 4/4885L3MBTL1 420/4885KDM4E 3767/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 XIAP 4/4885L3MBTL1 434/4885KDM4E 3837/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 XIAP 5/4885L3MBTL1 389/4885KDM4E 3718/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 XIAP 5/4885L3MBTL1 389/4885KDM4E 3718/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 XIAP 5/4885L3MBTL1 389/4885KDM4E 3718/4885

“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.