SCHEMBL13610384

SCHEMBL13610384

FC(F)(F)c1cccc(CSSSCc2ccco2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
EPHX1 P07099 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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 0.85 TAAR1 (0.55) ALDH1A1EPHX1TAAR1IDO1HTR2A
SCHEMBL17672189 0.79 POLB (0.51) TSHRALDH1A1USP2TDP1L3MBTL1
SCHEMBL23927281 0.78 TAAR1 (0.58) ALDH1A1EPHX1TAAR1IDO1HTR2A
SCHEMBL25435114 0.76 TSHR (0.47) TSHRALDH1A1USP2TDP1L3MBTL1
SCHEMBL4239894 0.74 POLB (0.56) TSHRUSP2TDP1L3MBTL1POLB
SCHEMBL13610336 0.73 MEN1 (0.53) TSHRALDH1A1TDP1L3MBTL1POLB
SCHEMBL13610386 0.73 EPHX1 (0.44) TSHRALDH1A1USP2TDP1EPHX1
SCHEMBL25435426 0.73 TSHR (0.43) TSHRALDH1A1USP2TDP1L3MBTL1
SCHEMBL13610403 0.72 TAAR1 (0.56) ALDH1A1EPHX1TAAR1IDO1HTR2A
SCHEMBL13610366 0.72 RAB9A (0.46) TSHRALDH1A1POLBEPHX1MEN1

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 TSHR 1867/4885ALDH1A1 285/4885USP2 1169/4885

“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.