SCHEMBL13610310

SCHEMBL13610310

COc1ccc(CSSSc2ncccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
CLK4 Q9HAZ1 1/20 0.42
IDO1 P14902 2/20 0.41
LMNA P02545 2/20 0.41
APP P05067 1/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL13610379 0.81 EPHX1 (0.40) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL13610296 0.79 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL13610358 0.79 MAPK1 (0.42) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL13610313 0.78 APP (0.53) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13610330 0.78 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL12694344 0.77 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL13610326 0.76 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL11820131 0.75 HSD17B10 (0.52) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL769511 0.75 IDO1 (0.59) SMN1; SMN2TP53ALDH1A1IDO1APP
SCHEMBL13610359 0.72 APP (0.46) NPC1RAB9AMAPK1NPSR1MAPT

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 NPC1 3127/4885RAB9A 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.