SCHEMBL13610517

SCHEMBL13610517

COc1ccc(SSSCc2cnccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
SYK P43405 2/20 0.39
HPGDS O60760 1/20 0.39
RAB9A P51151 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
DAO P14920 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL13610297 0.84 RAB9A (0.44) SYKHPGDSRAB9ANOS3NOS1
SCHEMBL13610477 0.82 ALDH1A1 (0.50) FBP1SYKRAB9AALDH1A1SMN1; SMN2
SCHEMBL19940168 0.81 DAO (0.40) FBP1RAB9ADAO
SCHEMBL13610313 0.74 APP (0.53) RAB9AALDH1A1SMN1; SMN2DAOGAA
SCHEMBL28172483 0.71 RAB9A (0.50) SYKRAB9AKDM4EALDH1A1POLB
SCHEMBL13610498 0.71 CYP1A2 (0.35) RAB9ACYP2D6DAO
SCHEMBL11021872 0.69 CA1 (0.58) FBP1RAB9AKDM4EALDH1A1GAA
SCHEMBL4270701 0.69 CA1 (0.58) FBP1RAB9AKDM4EALDH1A1GAA
SCHEMBL13610472 0.68 RAB9A (0.46) RAB9AHRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13610359 0.68 APP (0.46) RAB9AKDM4EALDH1A1POLBHTT

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
US-8778597-B2 Long-chain alkylene-containing curable epoxy resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-15 US 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 FBP1 3162/4885SYK 3152/4885HPGDS 155/4885

“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.