SCHEMBL5148778

SCHEMBL5148778

COc1ccc(-n2nc(C(=O)C(C)C)cc2-c2ccc(CNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.52
RPA1 P27694 5/20 0.51
MALT1 Q9UDY8 3/20 0.51
PTGS2 P35354 6/20 0.49
PTGS1 P23219 1/20 0.49
MARS1 P56192 1/20 0.46

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
SCHEMBL5150774 0.91 MALT1 (0.52) CHRNA7RPA1MALT1PTGS2PTGS1
SCHEMBL5149081 0.87 MALT1 (0.44) CHRNA7RPA1MALT1PTGS2PTGS1
SCHEMBL14504568 0.87 MALT1 (0.52) CHRNA7RPA1MALT1PTGS2PTGS1
SCHEMBL5148639 0.86 RPA1 (0.58) CHRNA7RPA1MALT1MARS1
SCHEMBL5148640 0.85 PTGS2 (0.54) CHRNA7MALT1PTGS2PTGS1
SCHEMBL5147822 0.84 CHRNA7 (0.52) CHRNA7RPA1MALT1PTGS2PTGS1
SCHEMBL5148774 0.83 PTGS2 (0.58) CHRNA7RPA1MALT1PTGS2PTGS1
SCHEMBL14505062 0.83 RPA1 (0.56) CHRNA7RPA1MALT1MARS1
Hydrochloric Acid SCHEMBL5148901 0.83 RPA1 (0.56) CHRNA7RPA1MALT1PTGS2MARS1
SCHEMBL5148918 0.83 MALT1 (0.53) CHRNA7RPA1MALT1PTGS2PTGS1

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 CHRNA7 1626/4885RPA1 2143/4885MALT1 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.