SCHEMBL1037192

SCHEMBL1037192

COc1cccc(CN(C(=O)CN(c2ccc3ncccc3c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.43
NFE2L2 Q16236 6/20 0.43
MAPT P10636 1/20 0.41
PTGER2 P43116 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
HCRTR2 O43614 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
HTT P42858 1/20 0.38
ESR1 P03372 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
SCHEMBL1039422 0.94 KEAP1 (0.39) KEAP1NFE2L2PTGER2HCRTR2
SCHEMBL1038614 0.90 HCRTR2 (0.43) KEAP1NFE2L2PTGER2ALDH1A1MAPK1
SCHEMBL1040989 0.90 PTGER1 (0.41) KEAP1NFE2L2ALDH1A1RAB9AHCRTR2
SCHEMBL1040843 0.86 HCRTR2 (0.53) KEAP1NFE2L2MAPTALDH1A1CA12
SCHEMBL1035896 0.85 KEAP1 (0.44) KEAP1NFE2L2MAPTALDH1A1ROCK2
SCHEMBL1040146 0.80 HCRTR2 (0.40) KEAP1NFE2L2MAPTPTGER2ALDH1A1
SCHEMBL1040606 0.79 PTGER1 (0.42) KEAP1NFE2L2CA12CA1CA2
SCHEMBL1038697 0.79 HCRTR2 (0.56) KEAP1NFE2L2MAPTALDH1A1HCRTR2
SCHEMBL12956470 0.77 ESR1 (0.42) KEAP1NFE2L2MAPTPTGER2ALDH1A1
SCHEMBL1037038 0.77 HCRTR2 (0.57) KEAP1NFE2L2MAPTALDH1A1MAPK1

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 14 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
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 KEAP1 1611/4885NFE2L2 3346/4885MAPT 1873/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR KEAP1 1611/4885NFE2L2 3346/4885MAPT 1873/4885

“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.