SCHEMBL13610381

SCHEMBL13610381

FC(F)(F)Oc1ccc(CSSSc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
MAPT P10636 1/20 0.36
VNN1 O95497 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SCN9A Q15858 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
EPHX1 P07099 2/20 0.35
CHRM5 P08912 1/20 0.35
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B3 P37058 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13610325 0.88 AHR (0.40) MAPTALDH1A1RAB9AKDM4EPKM
SCHEMBL13610360 0.84 MAPT (0.40) MAPTVNN1ALDH1A1RAB9ARECQL
SCHEMBL13610393 0.77 RAB9A (0.43) EPHX1ALDH1A1RAB9A
SCHEMBL13610462 0.76 CXCR2 (0.41) MAPTKCNH2ALDH1A1RAB9ARECQL
SCHEMBL13610379 0.75 EPHX1 (0.40) MAPTBCHEACHESCN9AEPHX1
SCHEMBL13610441 0.74 HSD17B3 (0.34) PPARDMAPTALDH1A1RAB9ARECQL
SCHEMBL13610501 0.72 PIEZO1 (0.36) MAPTVNN1ALDH1A1RAB9ARECQL
SCHEMBL13610483 0.72 RAB9A (0.50) MAPTALDH1A1RAB9ARECQLKDM4E
SCHEMBL25325181 0.71 RAB9A (0.51) ALDH1A1RAB9ARECQLKDM4EHSD17B3
SCHEMBL13610380 0.69 GRIN2B (0.45) VNN1BCHEACHEEPHX1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARD 251/4885MAPT 3990/4885VNN1 4069/4885

“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.