SCHEMBL4596853

SCHEMBL4596853

CC(C)C[C@@H](C(=O)O)N1C(=O)NC(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
BCL2 P10415 5/20 0.39
BCL2L2 Q92843 5/20 0.39
POLB P06746 1/20 0.38
MCL1 Q07820 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
MME P08473 1/20 0.33

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
SCHEMBL4596864 1.00 KMT2A (0.44) KMT2ASMN1; SMN2BCL2BCL2L2POLB
SCHEMBL4596857 1.00 KMT2A (0.44) KMT2ASMN1; SMN2BCL2BCL2L2POLB
SCHEMBL4597654 0.82 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2BCL2BCL2L2POLB
SCHEMBL6206249 0.82 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2BCL2BCL2L2POLB
SCHEMBL4595768 0.81 L3MBTL1 (0.44) KMT2ASMN1; SMN2POLBMCL1L3MBTL1
SCHEMBL4595759 0.81 L3MBTL1 (0.44) KMT2ASMN1; SMN2POLBMCL1L3MBTL1
SCHEMBL4597380 0.79 SMN1; SMN2 (0.40) SMN1; SMN2BCL2BCL2L2MCL1GAA
SCHEMBL4597413 0.79 SMN1; SMN2 (0.40) SMN1; SMN2BCL2BCL2L2MCL1GAA
SCHEMBL4597376 0.79 SMN1; SMN2 (0.40) SMN1; SMN2BCL2BCL2L2MCL1GAA
SCHEMBL15194881 0.78 KMT2A (0.46) KMT2APOLBL3MBTL1GAALMNA

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
EP-1414444-B1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-09 EP disclosed
EP-1506177-B1 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF 2-SUBSTITUTED 2-(2,5-DIOXOIMIDAZOLIDIN-1-YL)-ACETIC ACID DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-01-16 EP disclosed
US-6962937-B2 Imidazolidine derivatives, their preparation and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-11-08 US disclosed
US-6908752-B2 Process for the preparation of the enant iomeric forms of 2-substituted 2- (2, 5-dioxoimidazolidin-1yl) -acetic acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-21 US disclosed
EP-1506177-A2 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF 2-SUBSTITUTED 2-(2,5-DIOXOIMIDAZOLIDIN-1-YL)-ACETIC ACID DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2005-02-16 EP disclosed
EP-1414444-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2004-05-06 EP disclosed
US-6667334-B1 Inhibitors of adhesion and migration of leukocytes and/or antagonists of adhesion receptor VLA-4 belonging to integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-23 US disclosed
US-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-12 US disclosed
US-20030054507-A1 Process for the preparation of the enant iomeric forms of 2-substituted 2- (2, 5-dioxoimidazolidin-1-yl) -acetic acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
WO-2003011288-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-13 WO disclosed
WO-2003008386-A2 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF 2-SUBSTITUTED 2-(2,5-DIOXOIMIDAZOLIDIN-1-YL)-ACETIC ACID DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-30 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 (1 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-20030109497-A1 Novel imidazolidine derivatives, their preparation and their use VCAM1, ITGA1, ITGA4 KMT2A 1692/4885SMN1; SMN2 3909/4885BCL2 2266/4885

“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.