SCHEMBL1039917

SCHEMBL1039917

CCN(Cc1ccc2ccccc2n1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.69
ALDH1A1 P00352 1/20 0.51
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
MMP3 P08254 1/20 0.41
HCRTR1 O43613 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL1037411 0.92 HCRTR2 (0.60) HCRTR2ALDH1A1KEAP1NFE2L2MAPT
SCHEMBL1041406 0.87 HCRTR2 (0.51) HCRTR2ALDH1A1KEAP1NFE2L2MMP3
SCHEMBL1040147 0.86 HCRTR2 (0.73) HCRTR2ALDH1A1KEAP1NFE2L2NPSR1
SCHEMBL1037675 0.85 HCRTR2 (0.70) HCRTR2ALDH1A1NPSR1MAPTHCRTR1
SCHEMBL1039108 0.85 HCRTR2 (0.73) HCRTR2ALDH1A1KEAP1NFE2L2NPSR1
SCHEMBL1041188 0.84 HCRTR2 (0.67) HCRTR2ALDH1A1KEAP1NFE2L2HCRTR1
SCHEMBL1040596 0.84 HCRTR2 (0.69) HCRTR2ALDH1A1KEAP1NFE2L2NPSR1
SCHEMBL1040595 0.83 HCRTR2 (0.68) HCRTR2ALDH1A1KEAP1NFE2L2NPSR1
SCHEMBL1040102 0.83 HCRTR2 (0.68) HCRTR2ALDH1A1HCRTR1
SCHEMBL1038639 0.83 HCRTR2 (0.80) HCRTR2ALDH1A1KEAP1NFE2L2NPSR1

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-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 HCRTR2 1/4885ALDH1A1 496/4885KEAP1 1611/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885KEAP1 1611/4885

“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.