SCHEMBL1629338

SCHEMBL1629338

O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)ON1CCCC1c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL1629109 0.83 CRHBP (0.49) TRPA1ALDH1A1CNR1CNR2HTT
SCHEMBL1630026 0.83 CRHBP (0.49) TRPA1ALDH1A1CNR1CNR2HTT
SCHEMBL1630727 0.80 CRHBP (0.48) ALDH1A1NPSR1HTTKDM4ECRHBP
SCHEMBL1629094 0.79 CRHBP (0.52) ALDH1A1NPSR1HTTCRHBPCRHR2
SCHEMBL1630642 0.79 CRHBP (0.51) ALDH1A1POLBNPSR1CNR1CNR2
SCHEMBL3422507 0.79 CRHBP (0.51) ALDH1A1POLBNPSR1CNR1CNR2
SCHEMBL1630085 0.78 CRHBP (0.45) TRPA1ALDH1A1NPSR1CNR1CNR2
SCHEMBL1630715 0.78 CRHBP (0.45) TRPA1ALDH1A1NPSR1HTTCRHBP
SCHEMBL3424551 0.78 LMNA (0.49) TRPA1ALDH1A1POLBNPSR1HTT
SCHEMBL1632105 0.77 CRHBP (0.56) ALDH1A1NPSR1HTTCRHBPCRHR2

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 TRPA1 297/4885ALDH1A1 2403/4885POLB 4764/4885

“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.