SCHEMBL5147787

SCHEMBL5147787

CCOc1cc(-c2ccc(OCCNS(C)(=O)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
PTGS1 P23219 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MALT1 Q9UDY8 2/20 0.39
BCL2 P10415 2/20 0.38
MDM2 Q00987 2/20 0.38
MCL1 Q07820 2/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
AKT1 P31749 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL5148769 0.94 MALT1 (0.41) PTGS2PTGS1ALDH1A1MALT1DYRK3
SCHEMBL5152048 0.91 PTGS2 (0.48) PTGS2PTGS1ALDH1A1MALT1BCL2
SCHEMBL5148770 0.89 PTGS2 (0.44) PTGS2PTGS1MALT1
SCHEMBL5148873 0.89 PTGS2 (0.39) PTGS2PTGS1ALDH1A1MALT1DYRK3
SCHEMBL5148761 0.89 PTGS2 (0.38) PTGS2PTGS1ALDH1A1MALT1BCL2
SCHEMBL5148798 0.88 MALT1 (0.44) PTGS2PTGS1ALDH1A1MALT1DYRK3
SCHEMBL5152420 0.87 PTGS2 (0.42) PTGS2PTGS1ALDH1A1MALT1BCL2
SCHEMBL5147735 0.86 CACNB4 (0.39) PTGS2MALT1DYRK3ROCK2PRKD3
SCHEMBL5148766 0.85 PTGS2 (0.52) PTGS2PTGS1ALDH1A1
SCHEMBL5150634 0.85 PTGS2 (0.57) PTGS2PTGS1

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 5 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
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 PTGS2 1780/4885PTGS1 1105/4885ALDH1A1 544/4885

“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.