SCHEMBL1629400

SCHEMBL1629400

COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2c2ccccc2)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.55
AVPR1A P37288 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
KEAP1 Q14145 4/20 0.52
NFE2L2 Q16236 4/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CAMK2A Q9UQM7 2/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CAMK2G Q13555 1/20 0.47
CYP3A4 P08684 1/20 0.47

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 0.95 KEAP1 (0.51) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1629490 0.95 KEAP1 (0.51) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL3423315 0.95 KEAP1 (0.51) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1629046 0.95 OXTR (0.60) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL3427036 0.94 MAPT (0.52) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1629094 0.91 CRHBP (0.52) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1629236 0.91 CRHBP (0.56) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1630065 0.91 KMT2A (0.52) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1630528 0.91 OXTR (0.53) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1630757 0.90 MAPT (0.46) OXTRAVPR1ANPSR1PKMMAPT

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
EP-2245006-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009092642-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO 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
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 OXTR 8/4885AVPR1A 48/4885NPSR1 3/4885

“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.