SCHEMBL13610431

SCHEMBL13610431

c1ccc(CSSSCc2ccc3scnc3c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DYRK3 O43781 2/20 0.34
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK2 Q92630 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK4 Q9NR20 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP2E1 P05181 3/20 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
SCHEMBL13610432 0.85 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL13610430 0.84 NAMPT (0.36) ALDH1A1HSD17B10
SCHEMBL13610438 0.82 HSD17B10 (0.37) ALDH1A1HSD17B10DYRK2RIPK2EGFR
SCHEMBL13610433 0.79 NOTUM (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13610350 0.79 TDP1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13610429 0.78 ALDH1A1 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13610437 0.77 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13610434 0.77 FFAR2 (0.42) SMN1; SMN2ALDH1A1HSD17B10MAPTTP53
SCHEMBL13610454 0.76 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13610439 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD17B10GSK3BKDM4E

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.