SCHEMBL5001908

SCHEMBL5001908

CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 1.00
ALDH1A1 P00352 1/20 0.58
OXTR P30559 1/20 0.47
MAPT P10636 1/20 0.47
HSD11B1 P28845 2/20 0.46
HCRTR1 O43613 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 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
SCHEMBL1039637 0.88 HCRTR2 (1.00) HCRTR2ALDH1A1MAPTHCRTR1KEAP1
SCHEMBL1036928 0.82 HCRTR2 (0.73) HCRTR2ALDH1A1MAPTHSD11B1HCRTR1
SCHEMBL1040283 0.79 HCRTR2 (0.83) HCRTR2ALDH1A1HCRTR1
SCHEMBL1038273 0.79 HCRTR2 (1.00) HCRTR2ALDH1A1OXTRHCRTR1KEAP1
SCHEMBL1037275 0.79 HCRTR2 (0.72) HCRTR2ALDH1A1MAPTHCRTR1KEAP1
SCHEMBL1040053 0.78 HCRTR2 (0.82) HCRTR2ALDH1A1MAPTHCRTR1KEAP1
SCHEMBL1075487 0.78 HCRTR2 (0.65) HCRTR2ALDH1A1MAPT
SCHEMBL1041090 0.77 HCRTR2 (1.00) HCRTR2ALDH1A1HCRTR1KEAP1NFE2L2
SCHEMBL1040064 0.76 HCRTR2 (0.73) HCRTR2ALDH1A1OXTRKEAP1NFE2L2
SCHEMBL1039834 0.76 HCRTR2 (0.64) HCRTR2ALDH1A1HCRTR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 496/4885OXTR 93/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885OXTR 93/4885

“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.