SCHEMBL5773478

SCHEMBL5773478

CC1(NC(=O)Nc2cccc(C(=O)O)c2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.73
MAPK12 P53778 10/20 0.73
MAPK11 Q15759 10/20 0.73
MAPK14 Q16539 10/20 0.73
ALOX5 P09917 2/20 0.44
TGFBR1 P36897 1/20 0.44
SOAT1 P35610 2/20 0.44
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.41
RAF1 P04049 2/20 0.41
MAPK9 P45984 2/20 0.41
GCGR P47871 1/20 0.40

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
SCHEMBL5770340 0.95 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL5767956 0.91 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL5769436 0.85 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL5772559 0.85 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL5772896 0.82 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771047 0.82 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL5767625 0.81 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771441 0.80 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL5772878 0.80 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5767359 0.80 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US claimed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US claimed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN claimed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP claimed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO claimed
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
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK13 1610/4885MAPK12 2766/4885MAPK11 1125/4885

“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.