SCHEMBL5771688

SCHEMBL5771688

C=CCNc1nccc(-c2[nH]c(C3OCC(C)(C(=O)NC4CCCCC4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.75
MAPK13 O15264 12/20 0.75
MAPK12 P53778 12/20 0.75
MAPK11 Q15759 12/20 0.75

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
SCHEMBL5770884 0.96 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768890 0.92 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770502 0.90 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769959 0.90 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769459 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772412 0.90 MAPK13 (0.77) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770365 0.90 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768554 0.90 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769584 0.90 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771076 0.90 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP disclosed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK14 1915/4885MAPK13 1610/4885MAPK12 2766/4885

“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.