SCHEMBL1765258

SCHEMBL1765258

CCOC(=O)C(=O)CC(=O)c1cc(F)cc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNTT P04053 1/20 0.43

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
SCHEMBL3540104 0.86 ALDH1A1 (0.52) GPR35ALDH1A1POLBSMN1; SMN2
SCHEMBL22557448 0.84 GPR35 (0.49) GPR35ALDH1A1
SCHEMBL31237155 0.80 CA12 (0.49)
SCHEMBL23384739 0.80 CA12 (0.49)
SCHEMBL28710182 0.80 GSK3B (0.55) GPR35ALDH1A1POLBSMN1; SMN2DNTT
SCHEMBL934877 0.79 DNTT (0.55) GPR35ALDH1A1POLBSMN1; SMN2DNTT
SCHEMBL20646737 0.78
SCHEMBL1659915 0.77 VNN1 (0.45)
SCHEMBL3408623 0.76 ALDH1A1 (0.51) GPR35ALDH1A1POLBSMN1; SMN2
SCHEMBL212542 0.75 SMN1; SMN2 (0.54) ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO GPR35 2122/4885ALDH1A1 898/4885POLB 241/4885

“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.