SCHEMBL13610532

SCHEMBL13610532

CCSSSCc1cccc(CSSSCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
IDO1 P14902 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
TP53 P04637 1/20 0.32
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
PNMT P11086 2/20 0.31

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
SCHEMBL13610289 0.84 TP53 (0.44) ACHERAB9AIDO1TAAR1TP53
SCHEMBL4267674 0.78 TAAR1 (0.55) ACHELMNAIDO1TAAR1CYP1A2
SCHEMBL26049437 0.75 IDO1 (0.51) IDO1TAAR1PNMTPTPRCPTPRG
SCHEMBL20734675 0.75 ACHE (0.46) SLC11A2ACHENPC1RAB9ALMNA
SCHEMBL28446683 0.74 ENPP2 (0.54) LMNAIDO1TAAR1CYP1A2ALDH1A1
SCHEMBL9976772 0.74 TAAR1 (0.55) ACHELMNAIDO1TAAR1CYP1A2
SCHEMBL9976793 0.74 IDO1 (0.55) IDO1TAAR1PNMTPTPRCPTPRG
SCHEMBL30451979 0.74 RAB9A (0.46) NPC1RAB9AIDO1TAAR1ALDH1A1
SCHEMBL775390 0.74 RAB9A (0.46) NPC1RAB9AIDO1TAAR1ALDH1A1
Dibenzyl Trisulfide SCHEMBL2803113 0.71 IDO1 (0.46) IDO1TP53NOS1CYP1A2CYP2D6

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 3 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-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

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 SLC11A2 1805/4885ACHE 4497/4885NPC1 3127/4885

“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.