SCHEMBL6758462

SCHEMBL6758462

CC(C)C[C@@H](C(=O)O)N1C(=O)N(Cc2ccccc2)[C@@](C)(c2ccncc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
BCL2 P10415 4/20 0.37
BCL2L2 Q92843 4/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ROCK1 Q13464 1/20 0.36
NR3C2 P08235 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CYP3A4 P08684 1/20 0.34
ELANE P08246 2/20 0.34
MCL1 Q07820 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6758454 1.00 CALCRL (0.40) CALCRLGAAL3MBTL1ALDH1A1TSHR
SCHEMBL6758457 1.00 CALCRL (0.40) CALCRLGAAL3MBTL1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6761726 0.99 CALCRL (0.40) CALCRLGAAL3MBTL1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6761717 0.99 CALCRL (0.40) CALCRLGAAL3MBTL1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6761720 0.99 CALCRL (0.40) CALCRLGAAL3MBTL1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6761724 0.99 CALCRL (0.40) CALCRLGAAL3MBTL1ALDH1A1TSHR
SCHEMBL6755381 0.92 GAA (0.42) CALCRLGAAL3MBTL1ALDH1A1BCL2
SCHEMBL4383332 0.92 GAA (0.42) CALCRLGAAL3MBTL1ALDH1A1BCL2
SCHEMBL4377560 0.92 GAA (0.42) CALCRLGAAL3MBTL1ALDH1A1BCL2
SCHEMBL4377559 0.92 GAA (0.42) CALCRLGAAL3MBTL1ALDH1A1BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CALCRL 443/4885GAA 2936/4885L3MBTL1 3858/4885

“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.