SCHEMBL5577090

SCHEMBL5577090

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 2/20 0.40
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL29779331 1.00 ITGB3 (0.44) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL28012104 0.94 ITGB3 (0.43) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL15632804 0.94 ITGB3 (0.43) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL29633817 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL29398902 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL30510296 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL118926 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL120595 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL120592 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA
SCHEMBL29400893 0.93 ITGB3 (0.45) ITGB3ITGA2BEPHX2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4339204-A1 BINDING MOLECULE EXHIBITING SELECTIVE BINDING FOR RAS(G12D) MUTANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-03-20 EP disclosed
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
US-11612661-B2 Conotoxin peptide analogs and uses for the treatment of pain and inflammatory conditions KINETA CHRONIC PAIN, LLC (US) 2023-03-28 US disclosed
US-9493512-B2 Solution phase processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2016-11-15 US disclosed
CN-103476789-B Process for the preparation of macrocyclic depsipeptides and novel intermediates 诺瓦提斯公司 2016-11-09 CN disclosed
EP-2906585-A2 SOLUTION PHASE PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES Novartis AG (CH) 2015-08-19 EP disclosed
US-20150218224-A1 Solution Phase Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates NOVARTIS AG (CH) 2015-08-06 US disclosed
CN-104804072-A Processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG 2015-07-29 CN disclosed
CN-104797592-A Aldehyde acetal based processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG 2015-07-22 CN disclosed
US-9067978-B2 Solution phase processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2015-06-30 US disclosed
CN-104703997-A Liquid phase process for the preparation of macrocyclic depsipeptides and novel intermediates NOVARTIS AG 2015-06-10 CN disclosed
WO-2014057418-A2 SOLUTION PHASE PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES NOVARTIS AG (CH) 2014-04-17 WO disclosed
US-20140100355-A1 Solution Phase Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates NOVARTIS AG (CH) 2014-04-10 US disclosed
CN-103476789-A Process for the preparation of macrocyclic depsipeptides and novel intermediates NOVARTIS AG 2013-12-25 CN disclosed
US-20070105759-A1 Melanocortin receptor 4 (mc4) agonists and their uses ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
EP-1644023-A2 MELANOCORTIN RECPTOR 4(MC4) AGONISTS AND THEIR USES ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
WO-2005000339-A2 MELANOCORTIN RECEPTOR 4(MC4) AGONISTS AND THEIR USES ELI LILLY AND COMPANY (US) 2005-01-06 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 (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-11612661-B2 Conotoxin peptide analogs and uses for the treatment of pain and inflammatory conditions CHRNG, CHRNA9, CHRNA10 ITGB3 401/4885ITGA2B 268/4885EPHX2 2218/4885
US-20070105759-A1 Melanocortin receptor 4 (mc4) agonists and their uses MC4R, MC3R, MC1R ITGB3 2629/4885ITGA2B 3754/4885EPHX2 3913/4885
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ITGB3 314/4885ITGA2B 442/4885EPHX2 4253/4885
US-20140100355-A1 Solution Phase Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates VIP, NPPA, DNPEP ITGB3 4866/4885ITGA2B 4782/4885EPHX2 1830/4885
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ITGB3 269/4885ITGA2B 426/4885EPHX2 4237/4885
US-20150218224-A1 Solution Phase Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates VIP, NPPA, DNPEP ITGB3 4866/4885ITGA2B 4782/4885EPHX2 1830/4885

“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.