SCHEMBL13610372

SCHEMBL13610372

FC(F)(F)Oc1ccc(CSSSCc2ccc(S)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
EPHX1 P07099 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ACE P12821 1/20 0.38
SLC6A4 P31645 1/20 0.37
CHRM5 P08912 1/20 0.37
DAO P14920 1/20 0.35
GRIN2B Q13224 1/20 0.35
EPHX2 P34913 2/20 0.34
MAPT P10636 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL13610378 0.81 BCHE (0.47) BCHEACHEEPHX1CA12CA1
SCHEMBL513526 0.80 MAPT (0.47) ALDH1A1TSHREPHX2MAPTKIF11
SCHEMBL13610366 0.76 RAB9A (0.46) BCHEACHEEPHX1CA12CA1
SCHEMBL13610373 0.75 MEN1 (0.45) BCHEACHEEPHX1SCN9ACHRM5
SCHEMBL13610379 0.74 EPHX1 (0.40) BCHEACHEEPHX1CA12CA1
SCHEMBL13610380 0.74 GRIN2B (0.45) BCHEACHEEPHX1ALDH1A1TSHR
SCHEMBL13610369 0.74 NPC1 (0.41) BCHEACHEEPHX1CA12CA1
SCHEMBL13610374 0.74 ALDH1A1 (0.42) BCHEACHEEPHX1CA12CA1
SCHEMBL13610376 0.74 EPHX1 (0.41) BCHEACHEEPHX1CA12CA1
SCHEMBL7359993 0.74 EPHX2 (0.44) SCN9AALDH1A1TSHRSLC6A4EPHX2

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 BCHE 3371/4885ACHE 4497/4885EPHX1 1872/4885

“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.