SCHEMBL1629490

SCHEMBL1629490

COc1ccc(N(CC(=O)N2CCCC2c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
MAPT P10636 6/20 0.51
OXTR P30559 3/20 0.51
AVPR1A P37288 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
CAMK2A Q9UQM7 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL1630032 1.00 KEAP1 (0.51) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL3423315 1.00 KEAP1 (0.51) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629094 0.96 CRHBP (0.52) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629400 0.95 OXTR (0.55) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1630757 0.94 MAPT (0.46) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1632105 0.93 CRHBP (0.56) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1630069 0.91 KMT2A (0.54) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1630074 0.91 MAPT (0.49) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629046 0.90 OXTR (0.60) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL3427036 0.90 MAPT (0.52) KEAP1NFE2L2MAPTOXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245006-B1 SULFONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-01 EP claimed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US claimed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 US claimed
EP-2245006-B1 SULFONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-01 EP disclosed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
EP-2245006-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009092642-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 US disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 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 1690/4885MAPT 2667/4885

“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.