SCHEMBL13610423

SCHEMBL13610423

FC(F)(F)c1ccc(SSSC/C=C/c2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A1 P04798 1/20 0.35
MAOB P27338 1/20 0.35
CYP1B1 Q16678 1/20 0.35
RECQL P46063 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL13610483 0.72 RAB9A (0.50) RAB9AALDH1A1NPC1L3MBTL1KDM4E
SCHEMBL13610420 0.71 L3MBTL1 (0.55) RAB9AALDH1A1NPC1L3MBTL1TDP1
SCHEMBL25325181 0.71 RAB9A (0.51) RAB9AALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL4265198 0.71 RAB9A (0.52) RAB9ANPC1L3MBTL1TDP1MAOB
SCHEMBL13610393 0.69 RAB9A (0.43) RAB9AALDH1A1
SCHEMBL14279422 0.69 MEN1 (0.52) RAB9AALDH1A1NPC1L3MBTL1KDM4E
SCHEMBL4813453 0.69 MEN1 (0.52) RAB9AALDH1A1NPC1L3MBTL1KDM4E
SCHEMBL13610360 0.69 MAPT (0.40) RAB9AALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL387863 0.67 RAB9A (0.55) RAB9ANPC1L3MBTL1TDP1MAOB
SCHEMBL387862 0.67 RAB9A (0.55) RAB9ANPC1L3MBTL1TDP1MAOB

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 4609/4885ALDH1A1 285/4885NPC1 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.