SCHEMBL5148774

SCHEMBL5148774

COc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(CNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58
MGLL Q99685 1/20 0.57
MALT1 Q9UDY8 2/20 0.54
CHRNA7 P36544 2/20 0.52
RPA1 P27694 4/20 0.48
DHODH Q02127 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTGS1 P23219 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
SCHEMBL5147813 0.88 MALT1 (0.48) PTGS2MGLLMALT1CHRNA7RPA1
SCHEMBL5152084 0.88 PTGS2 (0.56) PTGS2MGLLMALT1CHRNA7RPA1
SCHEMBL5414188 0.87 MGLL (0.59) PTGS2MGLLMALT1CHRNA7RPA1
Hydrochloric Acid SCHEMBL5148839 0.84 PTGS2 (0.60) PTGS2MGLLMALT1CHRNA7RPA1
SCHEMBL5148778 0.83 CHRNA7 (0.52) PTGS2MALT1CHRNA7RPA1PTGS1
SCHEMBL5149105 0.81 MALT1 (0.60) PTGS2MGLLMALT1CHRNA7RPA1
SCHEMBL5147822 0.81 CHRNA7 (0.52) PTGS2MALT1CHRNA7RPA1PTGS1
SCHEMBL6207636 0.80 MGLL (0.57) PTGS2MGLLMALT1CHRNA7RPA1
SCHEMBL3814406 0.80 PTGS2 (0.59) PTGS2MGLLMALT1CHRNA7RPA1
SCHEMBL5148918 0.80 MALT1 (0.53) PTGS2MALT1CHRNA7RPA1PTGS1

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 PTGS2 1780/4885MGLL 3793/4885MALT1 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.