SCHEMBL6758459

SCHEMBL6758459

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 3/20 0.36
AMPD2 Q01433 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC1A2 P43004 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
SCHEMBL6758463 1.00 CALCRL (0.39) CALCRLL3MBTL1ELANEALDH1A1CYP2C19
SCHEMBL6758465 1.00 CALCRL (0.39) CALCRLL3MBTL1ELANEALDH1A1CYP2C19
SCHEMBL4393271 1.00 CALCRL (0.39) CALCRLL3MBTL1ELANEALDH1A1CYP2C19
SCHEMBL4377560 0.83 GAA (0.42) CALCRLL3MBTL1ELANEALDH1A1KMT2A
SCHEMBL6755381 0.83 GAA (0.42) CALCRLL3MBTL1ELANEALDH1A1KMT2A
SCHEMBL4383332 0.83 GAA (0.42) CALCRLL3MBTL1ELANEALDH1A1KMT2A
SCHEMBL4377559 0.83 GAA (0.42) CALCRLL3MBTL1ELANEALDH1A1KMT2A
SCHEMBL6703342 0.79 FNTA (0.36) CALCRLELANEALDH1A1CYP2C19AMPD2
SCHEMBL6703341 0.79 FNTA (0.36) CALCRLELANEALDH1A1CYP2C19AMPD2
SCHEMBL6703343 0.79 FNTA (0.36) CALCRLELANEALDH1A1CYP2C19AMPD2

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 443/4885L3MBTL1 3858/4885ELANE 258/4885

“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.