SCHEMBL13610299

SCHEMBL13610299

COc1ccc(CSSSCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
ABCB1 P08183 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX5 P09917 1/20 0.43
BCHE P06276 1/20 0.43
NR1H3 Q13133 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27563914 0.81 LTA4H (0.58) LTA4HTDP1L3MBTL1NPC1RAB9A
SCHEMBL11157781 0.80 TAAR1 (0.59) LTA4HSIGMAR1TAAR1
SCHEMBL2355634 0.78 LTA4H (0.75) LTA4HTDP1L3MBTL1NPC1RAB9A
SCHEMBL1127531 0.77 LTA4H (0.67) LTA4HL3MBTL1SIGMAR1HTT
SCHEMBL769511 0.76 IDO1 (0.59) LTA4HTAAR1BCHE
SCHEMBL4262475 0.76 TDP1 (0.55) TDP1TAAR1
SCHEMBL11018642 0.76 L3MBTL1 (0.56) LTA4HTDP1L3MBTL1NPC1RAB9A
SCHEMBL5632470 0.75 LTA4H (0.69) LTA4HTDP1L3MBTL1NPC1RAB9A
SCHEMBL13610301 0.75 RAB9A (0.52) LTA4HTDP1L3MBTL1NPC1RAB9A
SCHEMBL19869076 0.75 LTA4H (0.53) LTA4HL3MBTL1NPC1RAB9ASIGMAR1

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 LTA4H 1000/4885TDP1 1801/4885L3MBTL1 884/4885

“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.