SCHEMBL5152086

SCHEMBL5152086

CCOC(=O)c1cc(-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.51
CA9 Q16790 4/20 0.49
CHRNA7 P36544 3/20 0.47
MALT1 Q9UDY8 1/20 0.46
BCL2 P10415 2/20 0.46
MDM2 Q00987 2/20 0.46
MCL1 Q07820 2/20 0.46
RPA1 P27694 1/20 0.46
PTGS2 P35354 3/20 0.45
TP53 P04637 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL14504883 0.91 FAAH (0.45) FAAHCA9CHRNA7BCL2MDM2
SCHEMBL14504739 0.89 RPA1 (0.60) CA9CHRNA7MALT1BCL2MDM2
SCHEMBL5424448 0.89 RPA1 (0.53) FAAHCA9CHRNA7MALT1BCL2
SCHEMBL14504993 0.89 MALT1 (0.48) FAAHCA9CHRNA7MALT1BCL2
SCHEMBL5148717 0.88 FAAH (0.52) FAAHCA9CHRNA7MALT1RPA1
SCHEMBL5148904 0.88 MALT1 (0.48) CA9CHRNA7MALT1BCL2MDM2
SCHEMBL5152308 0.88 CA9 (0.54) FAAHCA9CHRNA7MALT1BCL2
SCHEMBL14608131 0.87 MALT1 (0.52) CA9CHRNA7MALT1BCL2MDM2
SCHEMBL14505053 0.87 MALT1 (0.47) CA9CHRNA7MALT1BCL2MDM2
SCHEMBL14504656 0.86 MALT1 (0.45) CA9CHRNA7MALT1BCL2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 FAAH 3440/4885CA9 4006/4885CHRNA7 1626/4885

“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.