SCHEMBL2706470

SCHEMBL2706470

COc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.67
HCRTR2 O43614 3/20 0.67
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.56
TSHR P16473 1/20 0.55
FKBP1A P62942 1/20 0.53
EPHX2 P34913 1/20 0.52

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
SCHEMBL2706467 1.00 HCRTR1 (0.67) HCRTR1HCRTR2KDM4EHSD17B10ALDH1A1
SCHEMBL7683521 0.83 MMP1 (0.56) HCRTR1HCRTR2KMT2AGPBAR1TSHR
SCHEMBL7683529 0.83 MMP1 (0.56) HCRTR1HCRTR2KMT2AGPBAR1TSHR
SCHEMBL2705860 0.83 MMP1 (0.67) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL2706480 0.83 MMP1 (0.67) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL2705855 0.83 MMP1 (0.67) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL2707087 0.81 HCRTR1 (0.64) HCRTR1HCRTR2KDM4EHSD17B10ALDH1A1
SCHEMBL2707091 0.81 HCRTR1 (0.64) HCRTR1HCRTR2KDM4EHSD17B10ALDH1A1
SCHEMBL2706977 0.80 HCRTR1 (0.71) HCRTR1HCRTR2HTTKMT2ATSHR
SCHEMBL2706982 0.80 HCRTR1 (0.71) HCRTR1HCRTR2HTTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608787-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-07-03 EP claimed
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-06-13 US claimed
CN-103079563-A Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-05-01 CN claimed
WO-2012025877-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-03-01 WO claimed
EP-2608787-B1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2019-11-20 EP disclosed
US-9211279-B2 Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-15 US disclosed
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-03 US disclosed
CN-103079563-B Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-07-08 CN disclosed
US-9000029-B2 Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-04-07 US disclosed
US-20150057328-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2015-02-26 US disclosed
US-8895606-B2 Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-25 US disclosed
EP-2608787-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-07-03 EP disclosed
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-06-13 US disclosed
CN-103079563-A Proline sulfonamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-05-01 CN disclosed
WO-2012025877-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-03-01 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 (3 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-20150057328-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HCRTR1 2/4885HCRTR2 1/4885KDM4E 3175/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HCRTR1 2/4885HCRTR2 1/4885KDM4E 3175/4885
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HCRTR1 2/4885HCRTR2 1/4885KDM4E 3117/4885

“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.