SCHEMBL4539302

SCHEMBL4539302

CC(C)C[C@@H](C(=O)O)N1C(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@@](C)(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.43
BCL2L2 Q92843 3/20 0.43
CALCRL Q16602 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MME P08473 10/20 0.38
ACE P12821 9/20 0.38
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
GAA P10253 1/20 0.37
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 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
SCHEMBL6759040 1.00 BCL2 (0.43) BCL2BCL2L2CALCRLMEN1KMT2A
SCHEMBL4377560 0.93 GAA (0.42) BCL2BCL2L2CALCRLKMT2AL3MBTL1
SCHEMBL4377559 0.93 GAA (0.42) BCL2BCL2L2CALCRLKMT2AL3MBTL1
SCHEMBL6755381 0.93 GAA (0.42) BCL2BCL2L2CALCRLKMT2AL3MBTL1
SCHEMBL4383332 0.93 GAA (0.42) BCL2BCL2L2CALCRLKMT2AL3MBTL1
SCHEMBL6758457 0.86 CALCRL (0.40) BCL2BCL2L2CALCRLL3MBTL1GAA
SCHEMBL6761598 0.86 MCL1 (0.43) BCL2BCL2L2CALCRLL3MBTL1MME
SCHEMBL6761592 0.86 MCL1 (0.43) BCL2BCL2L2CALCRLL3MBTL1MME
SCHEMBL6758462 0.86 CALCRL (0.40) BCL2BCL2L2CALCRLL3MBTL1GAA
SCHEMBL6758454 0.86 CALCRL (0.40) BCL2BCL2L2CALCRLL3MBTL1GAA

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 BCL2 1892/4885BCL2L2 3088/4885CALCRL 443/4885

“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.