SCHEMBL5147735

SCHEMBL5147735

COc1ccc(-n2nc(OC3CCCC3)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 13/20 0.39
CACNA1A O00555 13/20 0.39
CACNA1G O43497 13/20 0.39
CACNG3 O60359 13/20 0.39
CACNA1F O60840 13/20 0.39
CACNA1H O95180 13/20 0.39
CACNB3 P54284 13/20 0.39
CACNA2D1 P54289 13/20 0.39
CACNG7 P62955 13/20 0.39
CACNA1B Q00975 13/20 0.39
CACNA1D Q01668 13/20 0.39
CACNB1 Q02641 13/20 0.39
CACNG1 Q06432 13/20 0.39
CACNB2 Q08289 13/20 0.39
CACNA1S Q13698 13/20 0.39
CACNA1C Q13936 13/20 0.39
CACNA1E Q15878 13/20 0.39
CACNA2D4 Q7Z3S7 13/20 0.39
CACNA2D3 Q8IZS8 13/20 0.39
CACNG8 Q8WXS5 13/20 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
SCHEMBL5148769 0.90 MALT1 (0.41) MALT1PTGS2DYRK3ROCK2PRKD3
SCHEMBL5152228 0.87 PDE4A (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5147787 0.86 PTGS2 (0.41) MALT1PTGS2DYRK3ROCK2PRKD3
SCHEMBL5148876 0.85 PTGS2 (0.37) CACNA1BMALT1PTGS2DYRK3ROCK2
SCHEMBL5148761 0.84 PTGS2 (0.38) MALT1PTGS2DYRK3ROCK2PRKD3
Hydrochloric Acid SCHEMBL5150749 0.84 CACNB4 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5148798 0.83 MALT1 (0.44) MALT1PTGS2DYRK3ROCK2PRKD3
SCHEMBL5148873 0.83 PTGS2 (0.39) MALT1PTGS2DYRK3ROCK2PRKD3
SCHEMBL5148770 0.83 PTGS2 (0.44) MALT1PTGS2
SCHEMBL5152420 0.83 PTGS2 (0.42) MALT1PTGS2DYRK3ROCK2PRKD3

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 CACNB4 1907/4885CACNA1A 231/4885CACNA1G 1371/4885

“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.