SCHEMBL13610385

SCHEMBL13610385

FC(F)(F)c1cccc(CSSSCc2cnccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
RAB9A P51151 1/20 0.42
DAO P14920 1/20 0.42
EPHX1 P07099 2/20 0.40
PIEZO1 Q92508 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PIP4K2A P48426 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL13610389 0.84 ALDH1A1 (0.47) GRIN1GRIN2BRAB9ADAOEPHX1
SCHEMBL4268169 0.82 TAAR1 (0.55) DAOEPHX1TAAR1
SCHEMBL13610396 0.78 EPHX1 (0.43) VNN1GRIN1GRIN2BRAB9ADAO
SCHEMBL13610391 0.76 EPHX1 (0.44) RAB9ADAOEPHX1CDC7DBF4
SCHEMBL23927281 0.75 TAAR1 (0.58) DAOEPHX1TAAR1
SCHEMBL13610340 0.74 TERT (0.48) RAB9ANPSR1HSD17B10
SCHEMBL13610369 0.73 NPC1 (0.41) RAB9AEPHX1
SCHEMBL13610501 0.73 PIEZO1 (0.36) VNN1GRIN1GRIN2BRAB9APIEZO1
SCHEMBL13610393 0.73 RAB9A (0.43) RAB9ADAOEPHX1CDC7DBF4
SCHEMBL13610403 0.73 TAAR1 (0.56) DAOEPHX1TAAR1

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 VNN1 4069/4885GRIN1 2703/4885GRIN2B 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.