SCHEMBL5771732

SCHEMBL5771732

CCCOc1nccc(-c2[nH]c(C3OCC(C)(C(=O)N4CCC(O)C4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.59
MAPK12 P53778 12/20 0.59
MAPK11 Q15759 12/20 0.59
MAPK14 Q16539 12/20 0.59
KDM4E B2RXH2 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
CYP1A2 P05177 1/20 0.36
LCK P06239 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PRKCA P17252 1/20 0.36
CYP2C19 P33261 1/20 0.36
FRK P42685 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
MINK1 Q8N4C8 1/20 0.36

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
SCHEMBL5771464 0.95 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5767447 0.94 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5768970 0.94 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5772172 0.93 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5771753 0.92 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5772195 0.90 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770291 0.90 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6075297 0.90 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5769893 0.89 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769424 0.89 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14

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
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
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.