SCHEMBL5152241

SCHEMBL5152241

COc1ccc(-n2nc(C(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
MALT1 Q9UDY8 2/20 0.45
RPA1 P27694 1/20 0.45
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
CHRNA7 P36544 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CCKAR P32238 4/20 0.44
BCL2 P10415 1/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 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
SCHEMBL5148721 0.92 PTGS2 (0.60) PTGS1PTGS2MALT1RPA1FABP3
SCHEMBL6540453 0.91 PTGS2 (0.42) PTGS1PTGS2MALT1FABP3FABP4
SCHEMBL5147704 0.91 CCKAR (0.49) PTGS1PTGS2MALT1RPA1FABP3
SCHEMBL5152133 0.90 PTGS2 (0.39) PTGS1PTGS2MALT1FABP3FABP4
SCHEMBL5147883 0.88 MALT1 (0.47) PTGS1PTGS2MALT1RPA1FABP3
SCHEMBL5152203 0.88 MALT1 (0.47) PTGS1PTGS2MALT1RPA1FABP3
SCHEMBL14504707 0.87 RPA1 (0.50) PTGS1PTGS2MALT1RPA1CHRNA7
SCHEMBL5148977 0.87 BCL2 (0.43) MALT1RPA1FABP3FABP4CHRNA7
SCHEMBL5147814 0.87 MALT1 (0.51) PTGS1PTGS2MALT1RPA1FABP3
SCHEMBL5149014 0.87 CA12 (0.46) PTGS1PTGS2MALT1RPA1FABP3

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 3 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-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 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 PTGS1 1105/4885PTGS2 1780/4885MALT1 1227/4885

“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.