SCHEMBL5148703

SCHEMBL5148703

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.46
MDM2 Q00987 1/20 0.46
MCL1 Q07820 1/20 0.46
PTGS1 P23219 7/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MALT1 Q9UDY8 3/20 0.41
CHRNA7 P36544 1/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 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
SCHEMBL5148693 0.92 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA9
SCHEMBL5147706 0.90 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA9
SCHEMBL5150787 0.90 PTGS2 (0.46) PTGS2MDM2MCL1PTGS1CA1
SCHEMBL5152048 0.89 PTGS2 (0.48) PTGS2MDM2MCL1PTGS1CA1
SCHEMBL5148974 0.89 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148792 0.86 PTGS2 (0.53) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148864 0.86 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA9
SCHEMBL5149036 0.86 PTGS2 (0.54) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148915 0.85 MDM2 (0.52) MDM2MCL1MALT1FABP3FABP4
SCHEMBL5148838 0.84 MDM2 (0.52) PTGS2MDM2MCL1PTGS1CA1

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 6 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
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO 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 1780/4885MDM2 1492/4885MCL1 1748/4885

“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.