SCHEMBL1749822

SCHEMBL1749822

CC(=O)n1cc(C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 15/20 0.45
▸ ELANE P08246 1/20 0.44
▸ CFD P00746 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CTRC Q99895 2/20 0.41
▸ EPHX1 P07099 1/20 0.40

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
SCHEMBL12529600 0.94 CMA1 (0.42) CMA1ELANECFDEPHX1
SCHEMBL12021195 0.88 CFD (0.41) CFD
SCHEMBL14001891 0.85 CFD (0.39) ELANECFD
SCHEMBL14001894 0.85 CFD (0.39) ELANECFD
SCHEMBL12021498 0.85 CFD (0.39) ELANECFD
SCHEMBL12529610 0.85 CMA1 (0.43) CMA1ELANECTRC
SCHEMBL1751264 0.83 EPHX1 (0.48) CFDEPHX1
SCHEMBL1751176 0.83 CFD (0.38) CMA1CFDEPHX1
SCHEMBL12021482 0.82 HTR6 (0.44) CFD
SCHEMBL12303272 0.81 BIRC2 (0.41) CMA1ELANE

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 14 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-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-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-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 CMA1 1575/4885ELANE 426/4885CFD 2187/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 CMA1 1667/4885ELANE 435/4885CFD 2237/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 CMA1 1575/4885ELANE 426/4885CFD 2187/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 CMA1 1839/4885ELANE 397/4885CFD 3459/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 CMA1 1839/4885ELANE 397/4885CFD 3459/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 CMA1 1839/4885ELANE 397/4885CFD 3459/4885

“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.

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