SCHEMBL13610526

SCHEMBL13610526

c1ccc2sc(CSSSCc3csc4ccccc34)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 1/20 0.45
UBE2T Q9NPD8 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
CYP2A6 P11509 2/20 0.43
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
USP2 O75604 3/20 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
SCHEMBL4267991 0.83 CYP2A6 (0.60) SMN1; SMN2ALDH1A1POLBMAPTCYP2A6
SCHEMBL13610514 0.76 RAB9A (0.62) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610516 0.74 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610356 0.73 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610474 0.73 RAB9A (0.60) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610476 0.73 CYP2A6 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL13610523 0.72 UBE2T (0.56) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610511 0.72 TSHR (0.53) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610521 0.71 RAB9A (0.58) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1
SCHEMBL13610529 0.71 RAB9A (0.48) SMN1; SMN2RAB9ANPC1MEN1ALDH1A1

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 1171/4885RAB9A 4609/4885NPC1 3127/4885

“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.