SCHEMBL6156534

SCHEMBL6156534

O=C(O)CCSC(c1c[c]ccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
MAPT P10636 1/20 0.40
ACP3 P15309 2/20 0.39
CES2 O00748 1/20 0.39
PNMT P11086 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
SLC6A9 P48067 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 1/20 0.38
FFAR1 O14842 1/20 0.37
PTGER2 P43116 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6154588 0.81 PNMT (0.37) EPHX1PNMTSLC6A9ATML3MBTL1
SCHEMBL6662252 0.79 EPHX1 (0.35) EPHX1MAPTPNMTATML3MBTL1
SCHEMBL6154730 0.78 CACNA2D1 (0.45) EPHX1ACP3CES2PNMTSLC6A9
SCHEMBL6153418 0.74 GAA (0.44) EPHX1ACP3CES2PNMTFFAR4
SCHEMBL6154240 0.73 EPHX1 (0.40) EPHX1MAPTPNMTL3MBTL1CYP1A2
SCHEMBL6155403 0.72 PNMT (0.50) ACP3CES2PNMTL3MBTL1ALDH1A1
SCHEMBL6153911 0.70 ALDH1A1 (0.41) MAPTACP3CES2CHRM2CHRM4
SCHEMBL11641205 0.69 SLC6A3 (0.57) CYSLTR2CYSLTR1ALDH1A1CYP1A2CYP3A4
SCHEMBL11748241 0.67 FFAR4 (0.50) EPHX1ACP3CES2PNMTFFAR4
SCHEMBL2743454 0.67 PNMT (0.59) ACP3CES2PNMTFFAR4SLC6A9

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP EPHX1 1810/4885CYSLTR2 1628/4885CYSLTR1 1484/4885

“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.