SCHEMBL13610342

SCHEMBL13610342

Fc1ccc(CSSSCc2cccnn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
HPGD P15428 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TERT O14746 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL13610298 0.81 TP53 (0.40) NPC1RAB9ASMN1; SMN2TP53IDO1
SCHEMBL13610376 0.80 EPHX1 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL13610341 0.79 RAB9A (0.45) NPC1RAB9ASMN1; SMN2NPSR1TP53
SCHEMBL1740610 0.77 IDO1 (0.50) NPC1RAB9ANPSR1TP53IDO1
SCHEMBL13610475 0.76 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL28853701 0.75 TAAR1 (0.41)
SCHEMBL13610458 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13610396 0.75 EPHX1 (0.43) RAB9AIDO1KMT2A
SCHEMBL13610496 0.72 RAB9A (0.35) NPC1RAB9ASMN1; SMN2HTTTERT
SCHEMBL13610340 0.72 TERT (0.48) NPC1RAB9ASMN1; SMN2NPSR1TP53

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 NPC1 3127/4885RAB9A 4609/4885SMN1; 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.