SCHEMBL2705744

SCHEMBL2705744

O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.65
ALDH1A1 P00352 3/20 0.60
HTT P42858 1/20 0.60
BRD2 P25440 3/20 0.58
HCRTR1 O43613 2/20 0.57
HCRTR2 O43614 2/20 0.57
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MMP8 P22894 2/20 0.52
MMP3 P08254 1/20 0.52
BRD3 Q15059 2/20 0.52
BRDT Q58F21 2/20 0.52
TRPA1 O75762 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2705750 1.00 BRD4 (0.65) BRD4ALDH1A1HTTBRD2HCRTR1
SCHEMBL5717022 0.96 ALDH1A1 (0.66) BRD4ALDH1A1HTTBRD2HCRTR1
SCHEMBL5716989 0.96 ALDH1A1 (0.66) BRD4ALDH1A1HTTBRD2HCRTR1
SCHEMBL5716988 0.96 ALDH1A1 (0.66) BRD4ALDH1A1HTTBRD2HCRTR1
SCHEMBL23787095 0.91 BRD4 (0.80) BRD4ALDH1A1BRD2HCRTR1HCRTR2
SCHEMBL20291400 0.91 BRD4 (0.80) BRD4ALDH1A1BRD2HCRTR1HCRTR2
SCHEMBL7128339 0.86 ALDH1A1 (0.68) BRD4ALDH1A1HTTKDM4EHSD17B10
SCHEMBL3721120 0.86 ALDH1A1 (0.68) BRD4ALDH1A1HTTKDM4EHSD17B10
SCHEMBL893543 0.85 ALDH1A1 (0.66) ALDH1A1HTTKDM4EHSD17B10TRPA1
SCHEMBL893545 0.85 ALDH1A1 (0.66) ALDH1A1HTTKDM4EHSD17B10TRPA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
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
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2012025877-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-03-01 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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 (4 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 BRD4 3724/4885ALDH1A1 1853/4885HTT 492/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 BRD4 143/4885ALDH1A1 3279/4885HTT 3335/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 BRD4 3724/4885ALDH1A1 1853/4885HTT 492/4885
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 BRD4 3750/4885ALDH1A1 1831/4885HTT 508/4885

“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.