SCHEMBL13610392

SCHEMBL13610392

COc1ccc(SSSCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPBWR1 P48145 1/20 0.43
MAOB P27338 4/20 0.42
GSK3B P49841 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
EPHX1 P07099 2/20 0.41
IDO1 P14902 2/20 0.41
DAO P14920 1/20 0.41
MITF O75030 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL4268169 0.79 TAAR1 (0.55) GAAMAOBEPHX1IDO1DAO
SCHEMBL13610313 0.77 APP (0.53) GAAMAOBIDO1DAOMEN1
SCHEMBL13610380 0.76 GRIN2B (0.45) MAOBEPHX1IDO1
SCHEMBL23927281 0.75 TAAR1 (0.58) GAAMAOBEPHX1IDO1DAO
SCHEMBL13610359 0.74 APP (0.46) GAAMAPTHTTNPSR1L3MBTL1
SCHEMBL13610391 0.73 EPHX1 (0.44) MAOBEPHX1IDO1DAOKDM4E
SCHEMBL11659187 0.72 KMT2A (0.55) GAAMAPTHPGDNPSR1L3MBTL1
SCHEMBL25464586 0.70 EPHX1 (0.50) MAPTL3MBTL1EPHX1IDO1HTR2A
SCHEMBL13610393 0.70 RAB9A (0.43) EPHX1IDO1DAOHTR2AHTR2C
SCHEMBL19869076 0.70 LTA4H (0.53) MAPTHTTNPSR1L3MBTL1MAOB

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 GAA 2926/4885MAPT 3990/4885HPGD 2331/4885

“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.