SCHEMBL13610306

SCHEMBL13610306

COc1ccc(CSSSCc2ccc3scnc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
FFAR1 O14842 2/20 0.36
IDO1 P14902 2/20 0.36
PTK6 Q13882 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
TP53 P04637 1/20 0.36
RIPK2 O43353 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL13610442 0.90 FBP1 (0.39) L3MBTL1LMNAMAPTMAPK1MEN1
SCHEMBL13610350 0.82 TDP1 (0.41) L3MBTL1MAPTMAPK1MEN1NPC1
SCHEMBL13610439 0.77 ALDH1A1 (0.43) MAPK1KMT2AKDM4EALDH1A1FFAR1
SCHEMBL29967146 0.76 NPC1 (0.47) L3MBTL1LMNAMEN1NPC1RAB9A
SCHEMBL928266 0.76 NPC1 (0.47) L3MBTL1LMNAMEN1NPC1RAB9A
SCHEMBL13610429 0.76 ALDH1A1 (0.37) L3MBTL1NPC1RAB9AALDH1A1FFAR1
SCHEMBL13610446 0.76 ALDH1A1 (0.39) L3MBTL1MAPK1MEN1NPC1RAB9A
SCHEMBL13610431 0.75 SMN1; SMN2 (0.40) L3MBTL1LMNAMAPTNPC1RAB9A
SCHEMBL23478698 0.75 ALDH1A1 (0.41) L3MBTL1MAPK1MEN1NPC1RAB9A
SCHEMBL13610438 0.75 HSD17B10 (0.37) MAPK1ALDH1A1FFAR1RIPK2

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 6 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-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 L3MBTL1 884/4885LMNA 4409/4885MAPT 3990/4885

“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.