SCHEMBL5148729

SCHEMBL5148729

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
ALOX5 P09917 1/20 0.44
MALT1 Q9UDY8 2/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
CHRNA7 P36544 1/20 0.41
RPA1 P27694 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL5148781 0.90 BCL2 (0.47) PTGS2ALOX5MALT1FABP3FABP4
SCHEMBL5152203 0.89 MALT1 (0.47) PTGS2ALOX5MALT1FABP3FABP4
SCHEMBL5152281 0.88 PTGS2 (0.49) PTGS2ALOX5MALT1FABP3FABP4
Hydrochloric Acid SCHEMBL5148796 0.87 PTGS2 (0.47) PTGS2ALOX5MALT1FABP3FABP4
SCHEMBL5148645 0.87 MALT1 (0.47) PTGS2ALOX5MALT1FABP3FABP4
SCHEMBL5147838 0.86 CHRNA7 (0.44) PTGS2ALOX5MALT1FABP3FABP4
SCHEMBL5147883 0.85 MALT1 (0.47) PTGS2ALOX5MALT1FABP3FABP4
SCHEMBL5150845 0.85 PTGS2 (0.43) PTGS2MALT1FABP3FABP4CHRNA7
SCHEMBL5151978 0.85 PTGS2 (0.48) PTGS2MALT1FABP3FABP4CHRNA7
SCHEMBL5148977 0.84 BCL2 (0.43) MALT1FABP3FABP4CHRNA7RPA1

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 4 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
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 PTGS2 1780/4885ALOX5 950/4885MALT1 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.