SCHEMBL1039637

SCHEMBL1039637

CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 1.00
ALDH1A1 P00352 2/20 0.60
HCRTR1 O43613 3/20 0.53
MAPT P10636 2/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NSD2 O96028 1/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1040283 0.91 HCRTR2 (0.83) HCRTR2ALDH1A1HCRTR1ESR1POLB
SCHEMBL1040053 0.90 HCRTR2 (0.82) HCRTR2ALDH1A1HCRTR1MAPTKEAP1
SCHEMBL5001908 0.88 HCRTR2 (1.00) HCRTR2ALDH1A1HCRTR1MAPTKEAP1
SCHEMBL1037775 0.85 HCRTR2 (0.73) HCRTR2ALDH1A1HCRTR1MAPTNSD2
SCHEMBL1036928 0.84 HCRTR2 (0.73) HCRTR2ALDH1A1HCRTR1MAPTKEAP1
SCHEMBL1039493 0.84 HCRTR2 (0.76) HCRTR2ALDH1A1HCRTR1LMNA
SCHEMBL1040151 0.84 HCRTR2 (0.72) HCRTR2ALDH1A1HCRTR1MAPTLMNA
SCHEMBL1040690 0.84 HCRTR2 (0.72) HCRTR2MAPTKEAP1NFE2L2NSD2
SCHEMBL1037675 0.84 HCRTR2 (0.70) HCRTR2ALDH1A1HCRTR1MAPTLMNA
SCHEMBL1040619 0.83 HCRTR2 (0.71) HCRTR2ALDH1A1HCRTR1MAPTKEAP1

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 HCRTR2 1/4885ALDH1A1 496/4885HCRTR1 2/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885HCRTR1 2/4885

“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.