SCHEMBL4256679

SCHEMBL4256679

O=S(=O)(O)/C=C/c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.53
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALOX5 P09917 2/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.43
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL4256686 1.00 HCAR2 (0.53) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL16414156 0.83 HCAR2 (0.52) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL4256663 0.80 HCAR2 (0.48) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL28157569 0.80 HCAR2 (0.48) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL29022469 0.80 HCAR2 (0.48) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL4256659 0.80 HCAR2 (0.48) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL27814793 0.79 NPC1 (0.50) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL5764205 0.78 HCAR2 (0.47) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL5764204 0.78 HCAR2 (0.47) HCAR2NPC1RAB9AALOX5PTGS1
SCHEMBL4255224 0.78 LMNA (0.48) HCAR2NPC1RAB9APTGS1PTGS2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 — — EP claimed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 — — US claimed
JP-2004504385-A — — 2004-02-12 — — JP claimed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 — — US claimed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 — — EP claimed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 — — WO claimed
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 — — EP disclosed
EP-1904471-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-02 — — EP disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 — — US disclosed
WO-2007006459-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-18 — — WO disclosed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 — — US disclosed
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 — — EP disclosed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 — — US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 — — US disclosed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 — — EP disclosed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 — — 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 (2 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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 HCAR2 192/4885NPC1 3096/4885RAB9A 4184/4885
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 HCAR2 844/4885NPC1 254/4885RAB9A 833/4885

“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.

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