SCHEMBL494192

SCHEMBL494192

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.74
POLB P06746 1/20 0.74
RAB9A P51151 1/20 0.71
VCAM1 P19320 1/20 0.66
USP2 O75604 1/20 0.64
TSHR P16473 4/20 0.64
MCOLN3 Q8TDD5 3/20 0.64
NPBWR1 P48145 1/20 0.64
MCHR1 Q99705 1/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL493045 0.98 POLB (0.72) KDM4EPOLBRAB9AVCAM1USP2
SCHEMBL15010831 0.85 ALDH1A1 (0.73) KDM4EPOLBRAB9AVCAM1USP2
SCHEMBL8049609 0.84 RAB9A (0.85) KDM4EPOLBRAB9AVCAM1USP2
SCHEMBL20526493 0.84 KDM4E (0.63) KDM4EPOLBRAB9AVCAM1USP2
SCHEMBL13489662 0.84 MAPT (0.70) KDM4EPOLBRAB9AUSP2ALDH1A1
Hydrochloric Acid SCHEMBL4274 0.82 MAPT (0.68) KDM4EPOLBRAB9AUSP2ALDH1A1
SCHEMBL16733049 0.82 HSD17B10 (0.61) KDM4EPOLBVCAM1USP2TSHR
SCHEMBL14847757 0.81 RAB9A (0.55) KDM4EPOLBRAB9AVCAM1TSHR
SCHEMBL25231430 0.80 HSD17B10 (0.59) KDM4EPOLBRAB9AVCAM1USP2
SCHEMBL2705461 0.80 L3MBTL1 (0.83) KDM4EPOLBUSP2ALDH1A1MEN1

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 9 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
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
WO-2012025877-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-03-01 WO disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US 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 KDM4E 3175/4885POLB 4576/4885RAB9A 2429/4885
US-20130150424-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KDM4E 3175/4885POLB 4576/4885RAB9A 2429/4885
US-20150246021-A1 PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KDM4E 3117/4885POLB 4577/4885RAB9A 2476/4885

“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.