SCHEMBL13610369

SCHEMBL13610369

FC(F)(F)Oc1ccc(CSSSCc2cnccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN9A Q15858 2/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
EPHX1 P07099 2/20 0.36
ABL1 P00519 1/20 0.36
NPY5R Q15761 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
GLS O94925 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL13610373 0.83 MEN1 (0.45) SCN9AKCNH2SCN5ABCHEACHE
SCHEMBL13610297 0.82 RAB9A (0.44) NPC1RAB9A
SCHEMBL13610340 0.80 TERT (0.48) NPC1RAB9AL3MBTL1
SCHEMBL13610376 0.76 EPHX1 (0.41) NPC1RAB9ASCN9ACYP11B1CYP11B2
SCHEMBL13610372 0.74 BCHE (0.43) SCN9ABCHEACHEEPHX1CA12
SCHEMBL13610379 0.74 EPHX1 (0.40) NPC1RAB9ASCN9ACYP11B1CYP11B2
SCHEMBL13610385 0.73 VNN1 (0.45) RAB9AEPHX1
SCHEMBL13610378 0.72 BCHE (0.47) SCN9ABCHEACHEEPHX1CA12
SCHEMBL13610472 0.69 RAB9A (0.46) NPC1RAB9A
SCHEMBL13610381 0.69 PPARD (0.39) RAB9AL3MBTL1SCN9AKCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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 (1 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-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS NPC1 3127/4885RAB9A 4609/4885L3MBTL1 884/4885

“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.