SCHEMBL13610461

SCHEMBL13610461

c1ccc2sc(CSSSCc3ccc4nonc4c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
UBE2T Q9NPD8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 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
SCHEMBL13610437 0.80 RAB9A (0.44) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610356 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610311 0.75 RAB9A (0.54) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610457 0.75 CYP2A6 (0.39) SMN1; SMN2MAPTTSHRALDH1A1KMT2A
SCHEMBL13610516 0.74 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610449 0.73 ALDH1A1 (0.46) SMN1; SMN2TSHRRAB9AALDH1A1NPC1
SCHEMBL13610514 0.73 RAB9A (0.62) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610518 0.72 L3MBTL1 (0.45) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610375 0.72 RAB9A (0.44) SMN1; SMN2MAPTTSHRRAB9AALDH1A1
SCHEMBL13610511 0.72 TSHR (0.53) SMN1; SMN2MAPTTSHRRAB9AALDH1A1

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 SMN1; SMN2 1171/4885MAPT 3990/4885TSHR 1867/4885

“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.