SCHEMBL5149014

SCHEMBL5149014

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
MALT1 Q9UDY8 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
RPA1 P27694 1/20 0.42
CCKAR P32238 5/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MDM2 Q00987 2/20 0.41
MCL1 Q07820 2/20 0.41
BCL2 P10415 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41

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
SCHEMBL5147606 0.90 CA12 (0.43) CA12CA1CA2CA9FABP3
SCHEMBL5150633 0.89 MALT1 (0.48) CA12CA1CA2CA9PTGS1
SCHEMBL5149064 0.88 CA12 (0.44) CA12CA1CA2CA9PTGS1
SCHEMBL14505053 0.88 MALT1 (0.47) CA12CA1CA2CA9PTGS1
SCHEMBL5147704 0.88 CCKAR (0.49) PTGS1PTGS2MALT1FABP3FABP4
SCHEMBL14504739 0.87 RPA1 (0.60) CA12CA1CA2CA9MALT1
SCHEMBL5148958 0.87 PTGS2 (0.49) CA12CA1CA2CA9PTGS1
SCHEMBL5152241 0.87 PTGS1 (0.49) CA1CA2CA9PTGS1PTGS2
SCHEMBL14505022 0.86 CA12 (0.45) CA12CA1CA2CA9
SCHEMBL5149087 0.86 PTGS2 (0.62) PTGS1PTGS2

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 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.