SCHEMBL13610386

SCHEMBL13610386

FC(F)(F)c1cccc(CSSSCc2ccc3nonc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
TOP2A P11388 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RAB9A P51151 1/20 0.38
DAO P14920 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4268169 0.83 TAAR1 (0.55) EPHX1ALDH1A1GAATAAR1IDO1
SCHEMBL13610462 0.78 CXCR2 (0.41) TSHRALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13610351 0.77 ALDH1A1 (0.48) TSHRALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13610374 0.76 ALDH1A1 (0.42) EPHX1TSHRALDH1A1ALOX15MAPK1
SCHEMBL23927281 0.76 TAAR1 (0.58) EPHX1ALDH1A1GAATAAR1IDO1
SCHEMBL13610449 0.73 ALDH1A1 (0.46) TSHRALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13610448 0.73 ALDH1A1 (0.44) TSHRALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13610384 0.73 TSHR (0.46) EPHX1TSHRALDH1A1HSD17B10TDP1
SCHEMBL13610389 0.72 ALDH1A1 (0.47) EPHX1ALDH1A1MAPTTDP1TAAR1
SCHEMBL13610454 0.72 ALDH1A1 (0.43) TSHRALDH1A1ALOX15MAPK1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 EPHX1 1872/4885TSHR 1867/4885ALDH1A1 285/4885

“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.