SCHEMBL1038403

SCHEMBL1038403

CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.78
ALDH1A1 P00352 1/20 0.57
CNR2 P34972 6/20 0.50
CNR1 P21554 5/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 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
SCHEMBL1038639 0.91 HCRTR2 (0.80) HCRTR2ALDH1A1CNR2CNR1KEAP1
SCHEMBL1035587 0.89 HCRTR2 (0.77) HCRTR2ALDH1A1CNR2CNR1KEAP1
SCHEMBL1038725 0.89 HCRTR2 (0.74) HCRTR2ALDH1A1
SCHEMBL1039013 0.88 HCRTR2 (1.00) HCRTR2ALDH1A1CNR2CNR1KEAP1
SCHEMBL1036276 0.85 HCRTR2 (0.73) HCRTR2ALDH1A1CNR2CNR1KEAP1
SCHEMBL1037049 0.84 HCRTR2 (0.87) HCRTR2ALDH1A1CNR2CNR1KEAP1
SCHEMBL1038371 0.84 HCRTR2 (0.71) HCRTR2ALDH1A1
SCHEMBL1039429 0.83 HCRTR2 (0.80) HCRTR2ALDH1A1KEAP1NFE2L2MAPT
SCHEMBL1041074 0.83 HCRTR2 (0.80) HCRTR2ALDH1A1CNR2CNR1KEAP1
SCHEMBL1037236 0.83 HCRTR2 (0.70) HCRTR2ALDH1A1CNR2CNR1KEAP1

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-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
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO 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 1/4885ALDH1A1 496/4885CNR2 36/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885CNR2 36/4885

“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.