SCHEMBL13610396

SCHEMBL13610396

FC(F)(F)c1cccc(CSSSCc2cccnn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
VNN1 O95497 1/20 0.42
GRIN2B Q13224 5/20 0.41
GRIN1 Q05586 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RAB9A P51151 1/20 0.38
DAO P14920 1/20 0.38

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 0.83 TAAR1 (0.55) EPHX1TAAR1IDO1HTR2AHTR2C
SCHEMBL13610389 0.83 ALDH1A1 (0.47) EPHX1GRIN2BGRIN1TAAR1IDO1
SCHEMBL13610385 0.78 VNN1 (0.45) EPHX1VNN1GRIN2BGRIN1TAAR1
SCHEMBL23927281 0.76 TAAR1 (0.58) EPHX1TAAR1IDO1HTR2AHTR2C
SCHEMBL13610342 0.75 NPC1 (0.36) IDO1KMT2ARAB9A
SCHEMBL13610391 0.74 EPHX1 (0.44) EPHX1TAAR1IDO1HTR2AHTR2C
SCHEMBL13610376 0.74 EPHX1 (0.41) EPHX1GRIN2BGRIN1KMT2ARAB9A
SCHEMBL13610386 0.71 EPHX1 (0.44) EPHX1TAAR1IDO1HTR2AHTR2C
SCHEMBL13610458 0.71 ALDH1A1 (0.42) KMT2A
SCHEMBL13610403 0.70 TAAR1 (0.56) EPHX1TAAR1IDO1HTR2AHTR2C

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 EPHX1 1872/4885VNN1 4069/4885GRIN2B 2178/4885

“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.