SCHEMBL4595752

SCHEMBL4595752

CC1(C)NC(=O)N(C(CC2CC2)C(=O)O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MME P08473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL4596828 1.00 KMT2A (0.41) KMT2AMEN1TSHRPOLBMME
SCHEMBL4595755 1.00 KMT2A (0.41) KMT2AMEN1TSHRPOLBMME
SCHEMBL4595627 0.83 SMN1; SMN2 (0.40) KMT2AL3MBTL1LMNA
SCHEMBL4597700 0.83 SMN1; SMN2 (0.40) KMT2AL3MBTL1LMNA
SCHEMBL4597158 0.82 SMN1; SMN2 (0.41) KMT2APOLBL3MBTL1LMNA
SCHEMBL4597353 0.82 SMN1; SMN2 (0.41) KMT2APOLBL3MBTL1LMNA
SCHEMBL4595583 0.79
SCHEMBL4595581 0.79
SCHEMBL4597416 0.79
SCHEMBL4596864 0.77 KMT2A (0.44) KMT2AMEN1TSHRPOLBMME

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 10 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-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 1692/4885MEN1 4652/4885TSHR 420/4885

“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.