SCHEMBL2706426

SCHEMBL2706426

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HTT P42858 1/20 0.68
HCRTR1 O43613 1/20 0.62
HCRTR2 O43614 1/20 0.62
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
POLB P06746 1/20 0.57
MMP2 P08253 2/20 0.54
MMP9 P14780 2/20 0.54
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGA4 P13612 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
SCHEMBL2706429 1.00 ALDH1A1 (0.68) ALDH1A1HTTHCRTR1HCRTR2KDM4E
SCHEMBL2636629 0.88 ALDH1A1 (0.68) ALDH1A1HTTKDM4EHSD17B10POLB
SCHEMBL696505 0.88 ALDH1A1 (0.68) ALDH1A1HTTKDM4EHSD17B10POLB
SCHEMBL696506 0.88 ALDH1A1 (0.68) ALDH1A1HTTKDM4EHSD17B10POLB
Hydrochloric Acid SCHEMBL4077465 0.87 ALDH1A1 (0.67) ALDH1A1HTTKDM4EHSD17B10POLB
Water SCHEMBL5497101 0.87 ALDH1A1 (0.67) ALDH1A1HTTKDM4EHSD17B10POLB
Hydrochloric Acid SCHEMBL4077466 0.87 ALDH1A1 (0.67) ALDH1A1HTTKDM4EHSD17B10POLB
SCHEMBL893543 0.86 ALDH1A1 (0.66) ALDH1A1HTTKDM4EHSD17B10LMNA
SCHEMBL893545 0.86 ALDH1A1 (0.66) ALDH1A1HTTKDM4EHSD17B10LMNA
SCHEMBL23519421 0.86 ALDH1A1 (0.65) ALDH1A1HTTKDM4EHSD17B10POLB

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
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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 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

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 ALDH1A1 1853/4885HTT 492/4885HCRTR1 2/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885HTT 3335/4885HCRTR1 221/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 ALDH1A1 1853/4885HTT 492/4885HCRTR1 2/4885
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 ALDH1A1 1831/4885HTT 508/4885HCRTR1 2/4885

“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.