SCHEMBL1040673

SCHEMBL1040673

Cc1ccc(N(CC(=O)N(CCO)C(C)C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.69
KEAP1 Q14145 4/20 0.53
NFE2L2 Q16236 4/20 0.53
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
RORC P51449 2/20 0.45
PPARG P37231 1/20 0.45
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL1040543 0.87 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1037049 0.84 HCRTR2 (0.87) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1077747 0.82 HCRTR2 (0.83) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1039013 0.81 HCRTR2 (1.00) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1037236 0.81 HCRTR2 (0.70) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1039483 0.81 KEAP1 (0.81) HCRTR2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL1041074 0.81 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1037841 0.78 HCRTR2 (0.63) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL14377797 0.78 HCRTR2 (0.62) HCRTR2KEAP1NFE2L2ALDH1A1NPSR1
SCHEMBL1039842 0.77 HCRTR2 (0.64) HCRTR2KEAP1NFE2L2ALDH1A1MEN1

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 10 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
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-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 HCRTR2 1/4885KEAP1 1611/4885NFE2L2 3346/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885KEAP1 1611/4885NFE2L2 3346/4885

“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.