SCHEMBL13164552

SCHEMBL13164552

C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](OCc2ccc(CO[C@H]3C[C@@H](C(=O)NCCc4ccccc4)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)cc2)C[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 7/20 0.43
▸ BIRC3 Q13489 6/20 0.43
▸ BIRC2 Q13490 6/20 0.43
▸ ELANE P08246 4/20 0.42
▸ AGTR2 P50052 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL13164551 0.87 ELANE (0.52) XIAPBIRC3BIRC2ELANEABCB1
SCHEMBL13164553 0.85 XIAP (0.55) XIAPBIRC3BIRC2
SCHEMBL13746928 0.85 XIAP (0.55) XIAPBIRC3BIRC2
SCHEMBL13164533 0.85 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL20152040 0.83 AGTR2 (0.40) XIAPBIRC3BIRC2ELANEAGTR2
SCHEMBL20137190 0.83 AGTR2 (0.40) XIAPBIRC3BIRC2ELANEAGTR2
SCHEMBL20137192 0.83 AGTR2 (0.40) XIAPBIRC3BIRC2ELANEAGTR2
SCHEMBL20137204 0.83 AGTR2 (0.40) XIAPBIRC3BIRC2ELANEAGTR2
SCHEMBL20137203 0.83 AGTR2 (0.40) XIAPBIRC3BIRC2ELANEAGTR2
SCHEMBL20137242 0.82 ELANE (0.39) XIAPBIRC3BIRC2ELANEAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 — — US disclosed
US-20140336134-A1 IAP BIR Domain Binding Compounds PHARMASCIENCE INC. (CA) 2014-11-13 — — US disclosed
US-8765681-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2014-07-01 — — US disclosed
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-03-21 — — US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 — — US disclosed
US-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-09-02 — — US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 — — US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — US disclosed
WO-2007104162-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — 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 (5 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-20100221261-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 XIAP 6/4885BIRC3 3/4885BIRC2 2/4885
US-20140336134-A1 IAP BIR Domain Binding Compounds BIRC2, BIRC7, BIRC5 XIAP 6/4885BIRC3 4/4885BIRC2 1/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 XIAP 2/4885BIRC3 7/4885BIRC2 3/4885
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 XIAP 6/4885BIRC3 3/4885BIRC2 2/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX XIAP 2/4885BIRC3 8/4885BIRC2 4/4885

“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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