SCHEMBL13610468

SCHEMBL13610468

c1ccc(CSSSCc2cccs2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HRH1 P35367 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL13610491 0.82 TSHR (0.37) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL4262202 0.81 TAAR1 (0.46) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL2752018 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL13780226 0.76 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL11445226 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL2883476 0.75 HRH1 (0.50) SMN1; SMN2MAPTESR1POLBSTAT3
SCHEMBL13610475 0.72 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL13610472 0.72 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL10714181 0.72 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL2886310 0.72 HRH1 (0.54) SMN1; SMN2MAPTESR1POLBSTAT3

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 SMN1; SMN2 1171/4885NPC1 3127/4885RAB9A 4609/4885

“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.