SCHEMBL1040417

SCHEMBL1040417

CCCN(CC1CC1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 7/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ HPGD P15428 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38

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) HCRTR2LMNAMAPTKEAP1NFE2L2
SCHEMBL1039100 0.84 HCRTR2 (0.76) HCRTR2ALDH1A1MAPK1LMNAUSP2
SCHEMBL1075444 0.83 HCRTR2 (0.56) HCRTR2ALDH1A1SMN1; SMN2MAPTKEAP1
SCHEMBL1039256 0.82 HCRTR2 (0.51) HCRTR2ALDH1A1SMN1; SMN2MAPTKEAP1
SCHEMBL1035759 0.81 ESR1 (0.50) HCRTR2LMNAKEAP1NFE2L2RORC
SCHEMBL1038651 0.80 L3MBTL1 (0.47) HCRTR2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1077747 0.78 HCRTR2 (0.83) HCRTR2ALDH1A1LMNAMAPTKEAP1
SCHEMBL1040787 0.76 NPSR1 (0.46) HCRTR2ALDH1A1MAPK1LMNAALOX15
SCHEMBL1039360 0.74 HCRTR2 (0.69) HCRTR2ALDH1A1KEAP1NFE2L2PKM
SCHEMBL1040589 0.73 HCRTR2 (0.61) HCRTR2ALDH1A1MAPK1KEAP1NFE2L2

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 12 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
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 496/4885MAPK1 2562/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR HCRTR2 1/4885ALDH1A1 496/4885MAPK1 2562/4885

“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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