SCHEMBL5152144

SCHEMBL5152144

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.44
MALT1 Q9UDY8 3/20 0.44
CHRNA7 P36544 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS1 P23219 4/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
RPA1 P27694 1/20 0.41
CCKAR P32238 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
SCHEMBL5434635 0.87 PTGS2 (0.48) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5150528 0.86 PTGS2 (0.43) PTGS2MALT1CHRNA7CA1CA2
Hydrochloric Acid SCHEMBL5147707 0.84 PTGS2 (0.46) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5148811 0.84 CHRNA7 (0.45) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5147706 0.82 PTGS2 (0.50) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5147717 0.81 CHRNA7 (0.51) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5148777 0.81 MALT1 (0.50) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5421023 0.81 RPA1 (0.50) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5147836 0.80 PTGS2 (0.51) PTGS2MALT1CHRNA7CA1CA2
SCHEMBL5148792 0.80 PTGS2 (0.53) PTGS2MALT1CHRNA7CA1CA2

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 PTGS2 1780/4885MALT1 1227/4885CHRNA7 1626/4885

“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.