SCHEMBL1039595

SCHEMBL1039595

CCN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.64
▸ KEAP1 Q14145 2/20 0.55
▸ NFE2L2 Q16236 2/20 0.55
▸ ESR1 P03372 4/20 0.51
▸ HSD11B1 P28845 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NR1I2 O75469 2/20 0.47
▸ RORA P35398 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ RORB Q92753 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ OXTR P30559 1/20 0.44
▸ AVPR1A P37288 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
SCHEMBL1041074 0.89 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2TSHRRORC
SCHEMBL1039384 0.89 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2ESR1HSD11B1
SCHEMBL1039360 0.79 HCRTR2 (0.69) HCRTR2KEAP1NFE2L2
SCHEMBL1039100 0.79 HCRTR2 (0.76) HCRTR2KEAP1NFE2L2MAPK1HSD17B10
SCHEMBL1038639 0.78 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2
SCHEMBL1039013 0.78 HCRTR2 (1.00) HCRTR2KEAP1NFE2L2TSHRRORC
SCHEMBL1039082 0.78 HCRTR2 (0.58) HCRTR2KEAP1NFE2L2ESR1KMT2A
SCHEMBL1040895 0.77 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2HSD11B1NR1I2
SCHEMBL1039429 0.77 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2ESR1HSD11B1
SCHEMBL1040589 0.76 HCRTR2 (0.61) HCRTR2KEAP1NFE2L2MAPK1RORC

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 1/4885KEAP1 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.

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