SCHEMBL5773547

SCHEMBL5773547

COc1nccc(-c2[nH]c(C3OCC(C)(C)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.55
MAPK13 O15264 10/20 0.55
MAPK12 P53778 10/20 0.55
MAPK11 Q15759 10/20 0.55
SOAT1 P35610 1/20 0.53
KDM4E B2RXH2 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
EGFR P00533 1/20 0.46
RAF1 P04049 1/20 0.46
CYP1A2 P05177 1/20 0.46
LCK P06239 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PRKCA P17252 1/20 0.46
CYP2C19 P33261 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46

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
SCHEMBL5768483 0.92 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5769151 0.90 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5766368 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770128 0.90 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5770818 0.90 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5769349 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5767614 0.89 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5771388 0.89 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11SOAT1
SCHEMBL5772240 0.88 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5771270 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US claimed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US 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
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 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.