SCHEMBL2354783

SCHEMBL2354783

COc1cccc(S(=O)(=O)N2CCc3c([nH]n(Cc4ccccc4)c3=O)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
HTR6 P50406 4/20 0.50
GNRHR P30968 1/20 0.45
AKR1C3 P42330 3/20 0.44
CHRM5 P08912 1/20 0.44
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL2356653 0.89 LMNA (0.55) NR3C1LMNATSHRMAPK1POLB
SCHEMBL6909830 0.87 AKR1C3 (0.41) NR3C1AKR1C3TSHRPKMALDH1A1
SCHEMBL2356115 0.87 MEN1 (0.46) NR3C1TSHRPKMALDH1A1
SCHEMBL14150516 0.86 NR3C1 (0.49) NR3C1AKR1C3CTSGCMA1ALDH1A1
SCHEMBL2357824 0.85 PKM (0.44) NR3C1HTR6AKR1C3LMNATSHR
SCHEMBL2347062 0.83 AKR1C3 (0.43) NR3C1AKR1C3CTSGCMA1TSHR
SCHEMBL2346588 0.82 CD4 (0.51) NR3C1LMNATSHRPKMALDH1A1
SCHEMBL2358094 0.81 SIGMAR1 (0.56) GNRHR
SCHEMBL14150535 0.81 NR3C1 (0.47) NR3C1CMA1LMNAPKMALDH1A1
SCHEMBL2355541 0.80 MEN1 (0.49) NR3C1LMNATSHRPKMALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US claimed
EP-2536721-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP claimed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO claimed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 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-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 NR3C1 1247/4885HTR6 3833/4885GNRHR 4390/4885

“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.