SCHEMBL5151975

SCHEMBL5151975

COc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
SUCNR1 Q9BXA5 5/20 0.38
NR3C1 P04150 1/20 0.37
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
BCL2 P10415 3/20 0.37
MDM2 Q00987 3/20 0.37
MCL1 Q07820 3/20 0.37
BRD4 O60885 1/20 0.37
PDK2 Q15119 1/20 0.36
SCN9A Q15858 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL5149064 0.92 CA12 (0.44) CA12CA1CA2CA9SUCNR1
SCHEMBL5147606 0.90 CA12 (0.43) CA12CA1CA2CA9SUCNR1
SCHEMBL5151982 0.89 MDM2 (0.41) NR3C1BCL2MDM2MCL1PIK3CA
SCHEMBL5152083 0.88 MDM2 (0.39) NR3C1BCL2MDM2MCL1PIK3CA
SCHEMBL5421725 0.88 CA12 (0.44) CA12CA1CA2CA9SUCNR1
SCHEMBL14505060 0.88 CA12 (0.41) CA12CA1CA2CA9SUCNR1
SCHEMBL14504789 0.87 PTGS2 (0.44) CA12CA1CA2CA9SUCNR1
SCHEMBL5148956 0.87 CA12 (0.45) CA12CA1CA2CA9SUCNR1
SCHEMBL12020370 0.87 MDM2 (0.48) CA12CA1CA2CA9BCL2
SCHEMBL14504997 0.86 CA12 (0.44) CA12CA1CA2CA9BCHE

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
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 CA12 4737/4885CA1 4388/4885CA2 3227/4885

“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.