SCHEMBL5149016

SCHEMBL5149016

COc1ccc(-n2nc(C(C)C)cc2-c2ccc(CNS(C)(=O)=O)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.45
PTGS2 P35354 9/20 0.40
PTGS1 P23219 6/20 0.40
SMO Q99835 1/20 0.39
GRIA2 P42262 1/20 0.38
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RPA1 P27694 1/20 0.35
NR1H2 P55055 1/20 0.35
CNR2 P34972 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL5148840 0.92 PTGS2 (0.50) MALT1PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL5152212 0.87 MALT1 (0.51) MALT1PTGS2SMOGRIA2RPA1
SCHEMBL5149081 0.86 MALT1 (0.44) MALT1PTGS2PTGS1SMORPA1
SCHEMBL5148640 0.86 PTGS2 (0.54) MALT1PTGS2PTGS1CNR2
SCHEMBL5152420 0.86 PTGS2 (0.42) MALT1PTGS2PTGS1ALDH1A1
SCHEMBL5149129 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5147886 0.84 SMO (0.47) MALT1SMORPA1
SCHEMBL5152238 0.83 SMO (0.46) MALT1PTGS2PTGS1SMORPA1
SCHEMBL14504588 0.83 PTGS2 (0.48) PTGS2PTGS1ABCB11ALDH1A1FYN
SCHEMBL5148806 0.83 MALT1 (0.42) MALT1PTGS2PTGS1GRIA2RPA1

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 MALT1 1227/4885PTGS2 1780/4885PTGS1 1105/4885

“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.