SCHEMBL6154588

SCHEMBL6154588

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
EPHX1 P07099 6/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DAO P14920 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
ATM Q13315 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MC4R P32245 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A9 P48067 1/20 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
SCHEMBL6662252 0.90 EPHX1 (0.35) PNMTEPHX1HTR2AHTR2CHTR2B
SCHEMBL6156534 0.81 EPHX1 (0.41) PNMTEPHX1ATMALDH1A1CHRM2
SCHEMBL6154240 0.74 EPHX1 (0.40) PNMTEPHX1HTR2CHTR2BSLC6A4
SCHEMBL6155403 0.71 PNMT (0.50) PNMTALDH1A1IDO1TDO2L3MBTL1
SCHEMBL6154126 0.70 IDO1 (0.45) PNMTHTR2AHTR2CHTR2BALDH1A1
SCHEMBL6154730 0.68 CACNA2D1 (0.45) PNMTEPHX1ALDH1A1SLC6A9
SCHEMBL28393834 0.65 PNMT (0.51) PNMTEPHX1HTR2AHTR2CHTR2B
SCHEMBL22349750 0.65 EPHX1 (0.49) PNMTEPHX1HTR2AHTR2CHTR2B
SCHEMBL28049523 0.65 PNMT (0.45) PNMTEPHX1HTR2AHTR2CHTR2B
SCHEMBL255035 0.64 PNMT (0.55) PNMTHTR2AHTR2CHTR2BDAO

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 1 patent. 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

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 PNMT 330/4885EPHX1 1810/4885HTR2A 4126/4885

“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.