SCHEMBL13610514

SCHEMBL13610514

c1csc(CSSSCc2nc3ccccc3s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
SMN1; SMN2 Q16637 9/20 0.62
NPC1 O15118 6/20 0.62
ALDH1A1 P00352 4/20 0.62
HSD17B10 Q99714 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
USP2 O75604 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
NTRK1 P04629 1/20 0.48
FYN P06241 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
PIM1 P11309 1/20 0.48
FGFR1 P11362 1/20 0.48

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
SCHEMBL13610511 0.77 TSHR (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL14273773 0.77 HSD17B10 (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL4262202 0.76 TAAR1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL13610516 0.76 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL13610526 0.76 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL13610474 0.75 RAB9A (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL13610356 0.75 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL13610528 0.74 RAB9A (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL13610523 0.74 UBE2T (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL13610521 0.73 RAB9A (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1HSD17B10

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 4609/4885SMN1; SMN2 1171/4885NPC1 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.