SCHEMBL6157213

SCHEMBL6157213

CCOC(=O)CO/N=C(/c1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.44
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GUSB P08236 2/20 0.40
F2 P00734 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SYK P43405 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 2/20 0.37
CFTR P13569 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6154890 0.82 DHODH (0.44) DHODHMAPTMEN1KMT2AGUSB
SCHEMBL6155247 0.78 CFTR (0.47) MAPTMEN1KMT2AGUSBNPC1
SCHEMBL6153628 0.77 ROCK1 (0.53) DHODHMEN1KMT2AGUSBALDH1A1
SCHEMBL6153621 0.74 GUSB (0.48) DHODHMAPTMEN1KMT2AGUSB
SCHEMBL6154319 0.73 ROCK1 (0.45) DHODHMAPTMEN1KMT2AGUSB
SCHEMBL6153748 0.72 GUSB (0.54) MAPTMEN1KMT2AGUSBALDH1A1
SCHEMBL5557359 0.72 MAPT (0.49) DHODHMAPTMEN1KMT2ASYK
SCHEMBL7148341 0.72 GUSB (0.55) DHODHMEN1KMT2AGUSBALDH1A1
SCHEMBL6153833 0.72 GUSB (0.48) MAPTMEN1KMT2AGUSBALDH1A1
SCHEMBL6154959 0.70 GUSB (0.49) DHODHMEN1KMT2AGUSBSYK

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 claimed

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 DHODH 672/4885MAPT 3318/4885MEN1 4329/4885

“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.