SCHEMBL1751337

SCHEMBL1751337

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1CCCO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
MCL1 Q07820 11/20 0.43
ABCB1 P08183 1/20 0.42
SRC P12931 4/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL12021345 1.00 USP30 (0.44) USP30MCL1ABCB1SRCPOLB
SCHEMBL19696616 0.89 USP30 (0.42) USP30MCL1ABCB1CHRM2CHRM3
SCHEMBL12021295 0.89 SRC (0.48) USP30MCL1ABCB1SRC
SCHEMBL2434824 0.89 SRC (0.48) USP30MCL1ABCB1SRC
SCHEMBL15678324 0.84 MCL1 (0.48) USP30MCL1ABCB1CHRM2CHRM3
SCHEMBL12037518 0.84 USP30 (0.45) USP30MCL1ABCB1SRC
SCHEMBL14457266 0.84 MCL1 (0.48) USP30MCL1ABCB1CHRM2CHRM3
SCHEMBL12021060 0.84 USP30 (0.45) USP30MCL1ABCB1SRC
SCHEMBL12021344 0.84 L3MBTL1 (0.41) USP30MCL1ABCB1
SCHEMBL1751807 0.84 L3MBTL1 (0.41) USP30MCL1ABCB1

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 USP30 803/4885MCL1 41/4885ABCB1 2854/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 USP30 754/4885MCL1 42/4885ABCB1 2767/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 USP30 803/4885MCL1 41/4885ABCB1 2854/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 USP30 858/4885MCL1 43/4885ABCB1 2932/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 USP30 858/4885MCL1 43/4885ABCB1 2932/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 USP30 858/4885MCL1 43/4885ABCB1 2932/4885

“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.