SCHEMBL1629052

SCHEMBL1629052

COc1cccc(S(=O)(=O)N(CC(=O)N2CCCC2c2ccccc2)c2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
OXTR P30559 2/20 0.49
AVPR1A P37288 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.48
PGR P06401 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
KEAP1 Q14145 4/20 0.45
NFE2L2 Q16236 4/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
OPRK1 P41145 1/20 0.43

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
SCHEMBL1630630 0.93 CRHBP (0.47) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL1629236 0.91 CRHBP (0.56) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL3428093 0.90 CRHBP (0.49) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL1629076 0.89 LMNA (0.50) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL1629351 0.89 LMNA (0.47) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL1629343 0.88 LMNA (0.44) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL1630616 0.86 CRHBP (0.53) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL3427813 0.86 KMT2A (0.53) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL1629046 0.86 OXTR (0.60) HTTCRHBPCRHR2OXTRAVPR1A
SCHEMBL8060525 0.86 CRHBP (0.55) HTTCRHBPCRHR2OXTRAVPR1A

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 15 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
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
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 HTT 673/4885CRHBP 170/4885CRHR2 14/4885

“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.