SCHEMBL2355923

SCHEMBL2355923

Cc1ccc(S(=O)(=O)N2CCc3c([nH]n(-c4ccnc5cc(Cl)ccc45)c3=O)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 4/20 0.61
HTT P42858 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
PKM P14618 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.41
NOX4 Q9NPH5 1/20 0.40
MAPT P10636 1/20 0.40
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
CD4 P01730 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK1 P49759 1/20 0.39
CHKA P35790 1/20 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
SCHEMBL2347843 0.79 LMNA (0.46) ALDH1A1HTTPKMGAASMN1; SMN2
SCHEMBL9977991 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EHTTNPSR1PKM
SCHEMBL6910957 0.75 SLC11A2 (0.48) ALDH1A1KDM4ECD4
SCHEMBL2355036 0.73 MEN1 (0.49) ALDH1A1PKMGAACD4
SCHEMBL2358175 0.72 CD4 (0.42) GBA1CD4
SCHEMBL2355092 0.71 KMT2A (0.49) NPSR1GAASMN1; SMN2MAPT
SCHEMBL17368689 0.70 ALDH1A1 (0.88) ALDH1A1KDM4EHTTNPSR1PKM
SCHEMBL15774887 0.70 ALDH1A1 (0.87) ALDH1A1KDM4EHTTNPSR1PKM
SCHEMBL2358075 0.69 CD4 (0.41) PKMSMN1; SMN2CD4
SCHEMBL17368692 0.68 ALDH1A1 (0.83) ALDH1A1KDM4EHTTNPSR1PKM

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 ALDH1A1 109/4885KDM4E 3277/4885HTT 3965/4885

“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.