SCHEMBL4377559

SCHEMBL4377559

CC(C)CC(C(=O)O)N1C(=O)N(Cc2ccccc2)[C@@](C)(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CALCRL Q16602 1/20 0.41
BCL2 P10415 4/20 0.40
BCL2L2 Q92843 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
KMT2A Q03164 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
SCHEMBL4377560 1.00 GAA (0.42) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL4383332 1.00 GAA (0.42) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6755381 1.00 GAA (0.42) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL4539302 0.93 BCL2 (0.43) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6759040 0.93 BCL2 (0.43) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6758457 0.92 CALCRL (0.40) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6758462 0.92 CALCRL (0.40) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6761592 0.92 MCL1 (0.43) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6761598 0.92 MCL1 (0.43) GAACALCRLBCL2BCL2L2L3MBTL1
SCHEMBL6758454 0.92 CALCRL (0.40) GAACALCRLBCL2BCL2L2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed
US-6759424-B2 2,5-DIOXOIMIDAZOLIDINE OR 2-THIO-5-OXOIMIDAZOLIDINE DERIVATIVES SUITABLE FOR THE THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
US-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-03 US disclosed
US-6423712-B1 2,4-Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-23 US disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP 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-20030125565-A1 Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them VCAM1, ITGA1, ITGA4 GAA 2936/4885CALCRL 443/4885BCL2 1892/4885

“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.