SCHEMBL1040690

SCHEMBL1040690

Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.72
KEAP1 Q14145 7/20 0.67
NFE2L2 Q16236 7/20 0.67
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.60
PPARG P37231 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
NSD2 O96028 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6669465 0.93 HCRTR2 (0.61) HCRTR2KEAP1NFE2L2MAPTTSHR
SCHEMBL1630720 0.89 HCRTR2 (0.58) HCRTR2KEAP1NFE2L2MAPTTSHR
Acetic Acid SCHEMBL1920216 0.87 HCRTR2 (0.56) HCRTR2KEAP1NFE2L2MAPTTSHR
SCHEMBL1039637 0.84 HCRTR2 (1.00) HCRTR2KEAP1NFE2L2MAPTTSHR
SCHEMBL12956195 0.83 HCRTR2 (0.68) HCRTR2MAPTTSHRSMN1; SMN2LMNA
SCHEMBL1040053 0.82 HCRTR2 (0.82) HCRTR2KEAP1NFE2L2MAPTTSHR
SCHEMBL699184 0.81 KEAP1 (0.88) KEAP1NFE2L2TSHRPPARGL3MBTL1
SCHEMBL1040283 0.81 HCRTR2 (0.83) HCRTR2TSHRESR1POLB
SCHEMBL1040619 0.81 HCRTR2 (0.71) HCRTR2KEAP1NFE2L2MAPTESR1
SCHEMBL1035683 0.80 KEAP1 (0.62) HCRTR2KEAP1NFE2L2MAPTTSHR

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 13 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

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.