SCHEMBL2704403

SCHEMBL2704403

O=C(O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
HTT P42858 1/20 0.64
MMP8 P22894 1/20 0.60
MMP12 P39900 1/20 0.60
MMP13 P45452 1/20 0.60
TSHR P16473 2/20 0.60
HCRTR1 O43613 1/20 0.60
HCRTR2 O43614 1/20 0.60
LMNA P02545 1/20 0.60
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PSEN1 P49768 2/20 0.58
PSEN2 P49810 2/20 0.58
APH1B Q8WW43 2/20 0.58
NCSTN Q92542 2/20 0.58
APH1A Q96BI3 2/20 0.58
PSENEN Q9NZ42 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 2/20 0.57
SCN3A Q9NY46 1/20 0.57

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
SCHEMBL893933 1.00 ALDH1A1 (0.64) ALDH1A1HTTMMP8MMP12MMP13
SCHEMBL3710420 0.95 ALDH1A1 (0.71) ALDH1A1HTTMMP8MMP12MMP13
SCHEMBL3717708 0.95 ALDH1A1 (0.71) ALDH1A1HTTMMP8MMP12MMP13
SCHEMBL3094736 0.87 ALDH1A1 (0.60) ALDH1A1HTTTSHRHCRTR1HCRTR2
SCHEMBL893543 0.86 ALDH1A1 (0.66) ALDH1A1HTTTSHRLMNAKDM4E
SCHEMBL893545 0.86 ALDH1A1 (0.66) ALDH1A1HTTTSHRLMNAKDM4E
SCHEMBL23519421 0.86 ALDH1A1 (0.65) ALDH1A1HTTMMP8MMP12MMP13
SCHEMBL6997 0.86 ALDH1A1 (0.65) ALDH1A1HTTMMP8MMP12MMP13
SCHEMBL6996 0.86 ALDH1A1 (0.65) ALDH1A1HTTMMP8MMP12MMP13
SCHEMBL696506 0.85 ALDH1A1 (0.68) ALDH1A1HTTTSHRKDM4EHSD17B10

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 17 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
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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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 492/4885MMP8 3811/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885HTT 3335/4885MMP8 1429/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 ALDH1A1 1853/4885HTT 492/4885MMP8 3811/4885
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 ALDH1A1 1831/4885HTT 508/4885MMP8 3765/4885

“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.