SCHEMBL1040887

SCHEMBL1040887

CCCN(CC1CC1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
HCRTR2 O43614 1/20 0.48
ESR1 P03372 1/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
POLB P06746 1/20 0.41
KEAP1 Q14145 7/20 0.40
NFE2L2 Q16236 7/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CAMK2A Q9UQM7 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
CAMK2G Q13555 1/20 0.38

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
SCHEMBL1075444 0.89 HCRTR2 (0.56) HCRTR2MAPTTP53KEAP1NFE2L2
SCHEMBL1040417 0.89 HCRTR2 (0.55) HTTHCRTR2MAPTKEAP1NFE2L2
SCHEMBL1036906 0.85 HCRTR2 (0.65) HTTHCRTR2ESR1KMT2AMEN1
SCHEMBL1038651 0.83 L3MBTL1 (0.47) HTTHCRTR2ESR1KMT2AMEN1
SCHEMBL1039256 0.80 HCRTR2 (0.51) HCRTR2MAPTKEAP1NFE2L2
SCHEMBL1035759 0.79 ESR1 (0.50) HCRTR2ESR1KMT2AMEN1TP53
SCHEMBL21033410 0.74 HPGD (0.51) HCRTR2MAPTPOLBKEAP1NFE2L2
SCHEMBL1040787 0.74 NPSR1 (0.46) HCRTR2TP53LMNA
SCHEMBL1035896 0.74 KEAP1 (0.44) HTTHCRTR2ESR1KMT2AMEN1
SCHEMBL1039041 0.73 HCRTR2 (0.77) HCRTR2MAPTTP53KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO 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 (2 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-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR HTT 209/4885HCRTR2 1/4885ESR1 702/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HTT 209/4885HCRTR2 1/4885ESR1 702/4885

“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.