SCHEMBL5148772

SCHEMBL5148772

CCN(C)C(=O)c1cc(-c2ccc(CNS(C)(=O)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 8/20 0.42
MALT1 Q9UDY8 4/20 0.42
CHRNA7 P36544 1/20 0.40
SMO Q99835 1/20 0.38
PTGS2 P35354 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.36
PTGS1 P23219 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
SCHEMBL14504561 0.92 MALT1 (0.45) RPA1MALT1CHRNA7SMOPTGS2
SCHEMBL5525748 0.90 SMO (0.37) RPA1MALT1CHRNA7SMO
SCHEMBL5148813 0.88 RPA1 (0.47) RPA1MALT1SMO
SCHEMBL5147822 0.88 CHRNA7 (0.52) RPA1MALT1CHRNA7PTGS2PTGS1
SCHEMBL5150854 0.88 MALT1 (0.44) RPA1MALT1CHRNA7PTGS2PTGS1
SCHEMBL5152076 0.87 RPA1 (0.44) RPA1MALT1CHRNA7SMO
SCHEMBL14504459 0.86 MALT1 (0.39) RPA1MALT1CHRNA7PTGS2CA9
SCHEMBL5149081 0.85 MALT1 (0.44) RPA1MALT1CHRNA7SMOPTGS2
SCHEMBL14504623 0.85 MALT1 (0.43) RPA1MALT1CHRNA7SMOPTGS2
Hydrochloric Acid SCHEMBL5151848 0.85 MALT1 (0.43) RPA1MALT1CHRNA7SMOCA9

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 RPA1 2143/4885MALT1 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.