SCHEMBL6910957

SCHEMBL6910957

Cc1ccc(S(=O)(=O)N2CCc3c([nH]n(-c4ccccn4)c3=O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 5/20 0.48
GRM5 P41594 1/20 0.45
CD4 P01730 4/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 1/20 0.42
HSD11B1 P28845 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 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
SCHEMBL2358175 0.84 CD4 (0.42) CD4HSD11B1
SCHEMBL2355036 0.84 MEN1 (0.49) CD4HSD11B1MEN1KMT2AALDH1A1
SCHEMBL2355545 0.81 ALDH1A1 (0.52) GRM5CD4KDM4EHSD11B1ALDH1A1
SCHEMBL2347843 0.78 LMNA (0.46) CD4LMNAMEN1KMT2AALDH1A1
SCHEMBL2241520 0.75 MEN1 (0.49) CD4HSD11B1MEN1KMT2AALDH1A1
SCHEMBL2358797 0.75 CD4 (0.56) CD4LMNAALDH1A1POLB
SCHEMBL2355923 0.75 ALDH1A1 (0.61) CD4KDM4EALDH1A1
SCHEMBL2346588 0.75 CD4 (0.51) CD4LMNAHSD11B1ALDH1A1TSHR
SCHEMBL2357805 0.74 LMNA (0.48) CD4LMNAMEN1KMT2AALDH1A1
SCHEMBL2358075 0.73 CD4 (0.41) CD4MEN1KMT2APOLB

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 9 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
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US 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 SLC11A2 2548/4885GRM5 1226/4885CD4 2381/4885

“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.