SCHEMBL1629335

SCHEMBL1629335

Fc1ccc(C2CCCN2)cc1.O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 7/20 0.45
NFE2L2 Q16236 7/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A9 P48067 1/20 0.40
PPARG P37231 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
SCHEMBL1630563 0.83 KEAP1 (0.62) KEAP1NFE2L2CNR1CNR2PPARG
SCHEMBL16894157 0.77 KEAP1 (0.71) KEAP1NFE2L2PPARG
SCHEMBL1630305 0.77 KEAP1 (0.71) KEAP1NFE2L2CNR1CNR2PPARG
SCHEMBL1630026 0.73 CRHBP (0.49) CNR1CNR2PSEN1PSEN2APH1B
SCHEMBL1629109 0.73 CRHBP (0.49) CNR1CNR2PSEN1PSEN2APH1B
SCHEMBL2705416 0.72 CNR1 (0.55) KEAP1NFE2L2CNR1CNR2LMNA
SCHEMBL1629149 0.72 HCRTR2 (0.58) KEAP1NFE2L2ALDH1A1
SCHEMBL1629338 0.71 TRPA1 (0.42) CNR1CNR2PSEN1PSEN2APH1B
SCHEMBL3422507 0.71 CRHBP (0.51) CNR1CNR2PSEN1PSEN2APH1B
SCHEMBL1630642 0.71 CRHBP (0.51) CNR1CNR2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 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-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KEAP1 1802/4885NFE2L2 1690/4885CNR1 11/4885

“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.