SCHEMBL1040836

SCHEMBL1040836

CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 14/20 1.00
▸ ALDH1A1 P00352 1/20 0.61
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ HCRTR1 O43613 1/20 0.46

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
SCHEMBL1041090 0.89 HCRTR2 (1.00) HCRTR2ALDH1A1KEAP1NFE2L2CNR1
SCHEMBL1038273 0.86 HCRTR2 (1.00) HCRTR2ALDH1A1KEAP1NFE2L2CNR1
SCHEMBL1037188 0.85 HCRTR2 (0.76) HCRTR2ALDH1A1HCRTR1
SCHEMBL1039891 0.85 HCRTR2 (0.73) HCRTR2ALDH1A1KEAP1NFE2L2HCRTR1
SCHEMBL12956454 0.83 HCRTR2 (0.71) HCRTR2ALDH1A1KEAP1NFE2L2
SCHEMBL1038579 0.82 HCRTR2 (0.86) HCRTR2ALDH1A1KEAP1NFE2L2CNR1
SCHEMBL1040064 0.81 HCRTR2 (0.73) HCRTR2ALDH1A1KEAP1NFE2L2
SCHEMBL1037275 0.79 HCRTR2 (0.72) HCRTR2ALDH1A1KEAP1NFE2L2HCRTR1
SCHEMBL8339096 0.78 HCRTR2 (0.77) HCRTR2ALDH1A1KEAP1NFE2L2CNR1
SCHEMBL1040488 0.78 HCRTR2 (1.00) HCRTR2ALDH1A1KEAP1NFE2L2CNR1

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
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 — — CN disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 — — US disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 — — CN 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.

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