SCHEMBL13610289

SCHEMBL13610289

CCSSSCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
IDO1 P14902 3/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.37
CTSB P07858 2/20 0.36
CTSL P07711 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CALM1 P0DP23 1/20 0.36
RAB9A P51151 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
Dibenzyl Trisulfide SCHEMBL2803113 0.88 IDO1 (0.46) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL576943 0.86 TP53 (0.48) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL13610532 0.84 SLC11A2 (0.39) TP53CYP1A2CYP2D6IDO1NOS3
SCHEMBL1255779 0.83 IDO1 (0.46) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL28249975 0.81 IDO1 (0.41) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL1255808 0.80 IDO1 (0.44) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL6916072 0.80 IDO1 (0.44) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL11853076 0.80 IDO1 (0.44) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL30688344 0.79 CTSB (0.41) TP53CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL13610290 0.79 CYP1A2 (0.41) TP53CYP1A2CYP3A4CYP2D6PRMT1

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 TP53 44/4885CYP1A2 3924/4885CYP3A4 3786/4885

“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.