SCHEMBL2706446

SCHEMBL2706446

O=C(O)C1CCCN1S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.61
HCRTR2 O43614 1/20 0.61
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ITGB1 P05556 3/20 0.53
ITGA4 P13612 3/20 0.53
HTT P42858 1/20 0.52
PLAU P00749 2/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2706441 1.00 HCRTR1 (0.61) HCRTR1HCRTR2KDM4EHSD17B10MMP8
SCHEMBL7237249 0.93 HCRTR1 (0.54) HCRTR1HCRTR2KDM4EHSD17B10MMP8
SCHEMBL7237244 0.93 HCRTR1 (0.54) HCRTR1HCRTR2KDM4EHSD17B10MMP8
SCHEMBL3904073 0.86 ITGB1 (0.67) KDM4EHSD17B10MMP8MMP12MMP13
SCHEMBL3904078 0.86 ITGB1 (0.67) KDM4EHSD17B10MMP8MMP12MMP13
SCHEMBL23519421 0.84 ALDH1A1 (0.65) KDM4EHSD17B10MMP8MMP12MMP13
SCHEMBL6997 0.84 ALDH1A1 (0.65) KDM4EHSD17B10MMP8MMP12MMP13
SCHEMBL6996 0.84 ALDH1A1 (0.65) KDM4EHSD17B10MMP8MMP12MMP13
SCHEMBL3723194 0.84 KDM4E (0.57) KDM4EHSD17B10MMP8MMP12MMP13
SCHEMBL3727143 0.84 KDM4E (0.57) HCRTR1HCRTR2KDM4EHSD17B10MMP8

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-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
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.