SCHEMBL13610500

SCHEMBL13610500

c1ccc2sc(CSSSCc3cnccn3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 10/20 0.46
PDE10A Q9Y233 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
UBE2T Q9NPD8 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
MAPT P10636 5/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL13610474 0.85 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PDE10AKMT2A
SCHEMBL13610529 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2PDE10AKMT2A
SCHEMBL13610521 0.76 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PDE10AKMT2A
SCHEMBL13610523 0.74 UBE2T (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13610472 0.74 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13610516 0.73 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13610514 0.72 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13610356 0.72 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13610504 0.72 CYP2A6 (0.42) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13610518 0.72 L3MBTL1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 4609/4885NPC1 3127/4885SMN1; 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.