SCHEMBL13610404

SCHEMBL13610404

FC(F)(F)c1cccc(CSSSc2nccc(-c3cccs3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 7/20 0.39
GBA1 P04062 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
LRRK2 Q5S007 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13610362 0.81 RAB9A (0.48) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610391 0.80 EPHX1 (0.44) KDM4ERAB9A
SCHEMBL13610383 0.80 RAB9A (0.40) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610447 0.78 RAB9A (0.40) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610466 0.78 ALDH1A1 (0.43) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610487 0.76 MAPT (0.52) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610330 0.76 RAB9A (0.45) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610513 0.74 RAB9A (0.45) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL13610528 0.72 RAB9A (0.49) KDM4ERAB9ASMN1; SMN2MAPTGBA1
SCHEMBL4268169 0.70 TAAR1 (0.55) KDM4EALDH1A1GAA

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 KDM4E 1950/4885RAB9A 4609/4885SMN1; SMN2 1171/4885

“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.