SCHEMBL13610520

SCHEMBL13610520

FC(F)(F)c1ccc(SSSCc2nc3ccccc3s2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 6/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
UBE2T Q9NPD8 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13610521 0.74 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13610483 0.73 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13610393 0.71 RAB9A (0.43) RAB9AALDH1A1
SCHEMBL4846117 0.71 UBE2T (0.50) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13610441 0.70 HSD17B3 (0.34) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL13610360 0.70 MAPT (0.40) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL13610501 0.69 PIEZO1 (0.36) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL13610522 0.68 PDK1 (0.57) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13610356 0.68 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13610474 0.68 RAB9A (0.60) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1

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.