SCHEMBL1075444

SCHEMBL1075444

CCCN(CC1CC1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.56
▸ KEAP1 Q14145 6/20 0.50
▸ NFE2L2 Q16236 6/20 0.50
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CAMK2A Q9UQM7 3/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CAMK2G Q13555 1/20 0.42
▸ OXTR P30559 2/20 0.42
▸ AVPR1A P37288 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL1040887 0.89 HTT (0.48) HCRTR2KEAP1NFE2L2MMP1MMP3
SCHEMBL1038651 0.84 L3MBTL1 (0.47) HCRTR2KEAP1NFE2L2TP53SMN1; SMN2
SCHEMBL1039041 0.84 HCRTR2 (0.77) HCRTR2KEAP1NFE2L2TP53SMN1; SMN2
SCHEMBL1039256 0.83 HCRTR2 (0.51) HCRTR2KEAP1NFE2L2SMN1; SMN2MAPT
SCHEMBL1040417 0.83 HCRTR2 (0.55) HCRTR2KEAP1NFE2L2SMN1; SMN2MAPT
SCHEMBL1035759 0.80 ESR1 (0.50) HCRTR2KEAP1NFE2L2TP53
SCHEMBL1077747 0.79 HCRTR2 (0.83) HCRTR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL21033410 0.77 HPGD (0.51) HCRTR2KEAP1NFE2L2MMP3MAPT
SCHEMBL1040787 0.77 NPSR1 (0.46) HCRTR2TP53ALDH1A1
SCHEMBL1036906 0.73 HCRTR2 (0.65) HCRTR2KEAP1NFE2L2TP53MAPT

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
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
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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