SCHEMBL13610518

SCHEMBL13610518

c1ccc(-c2cc(CSSSCc3nc4ccccc4s3)no2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NOTUM Q6P988 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
KCNH2 Q12809 2/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UBE2T Q9NPD8 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
MPO P05164 1/20 0.40
MAPK1 P28482 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
SCHEMBL13610469 0.75 NOTUM (0.51) L3MBTL1TDP1NOTUMSMN1; SMN2RAB9A
SCHEMBL13610474 0.75 RAB9A (0.60) L3MBTL1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL13610516 0.73 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL13610344 0.73 TDP1 (0.51) L3MBTL1TDP1NOTUMSMN1; SMN2RAB9A
SCHEMBL13610529 0.73 RAB9A (0.48) L3MBTL1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL13610461 0.72 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL13610453 0.72 TDP1 (0.48) L3MBTL1TDP1NOTUMSMN1; SMN2KCNH2
SCHEMBL13610514 0.72 RAB9A (0.62) L3MBTL1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL13610500 0.72 RAB9A (0.50) L3MBTL1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL13610492 0.72 TDP1 (0.48) L3MBTL1TDP1NOTUMSMN1; SMN2RAB9A

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 L3MBTL1 884/4885TDP1 1801/4885NOTUM 756/4885

“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.