SCHEMBL5771559

SCHEMBL5771559

CC1(C(=O)N2CCC(C(=O)O)CC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 10/20 0.80
MAPK14 Q16539 10/20 0.80
MAPK13 O15264 9/20 0.80
MAPK12 P53778 9/20 0.80
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
RPS6KA3 P51812 1/20 0.49
RAF1 P04049 3/20 0.48
MAPK9 P45984 3/20 0.48
SOAT1 P35610 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5772600 0.92 MAPK11 (0.82) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5767876 0.91 MAPK13 (0.87) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5770557 0.90 MAPK13 (0.85) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5773365 0.89 MAPK13 (0.79) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5770201 0.89 MAPK14 (0.73) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL18797648 0.89 MAPK13 (1.00) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5770288 0.89 MAPK13 (1.00) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5771142 0.89 MAPK13 (0.84) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL20555598 0.89 MAPK13 (1.00) MAPK11MAPK14MAPK13MAPK12CSNK1A1
SCHEMBL5770385 0.88 MAPK11 (0.77) MAPK11MAPK14MAPK13MAPK12CSNK1A1

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
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN claimed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 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
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN 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
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 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 MAPK11 1125/4885MAPK14 1915/4885MAPK13 1610/4885

“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.