SCHEMBL6153472

SCHEMBL6153472

O=C(O)Cc1cccc(Oc2cccc(-c3nnc(Nc4ccc(Cl)c(Cl)c4)s3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.53
S1PR1 P21453 1/20 0.51
ROCK1 Q13464 4/20 0.50
ROCK2 O75116 2/20 0.50
BLM P54132 4/20 0.46
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
DNMT1 P26358 1/20 0.44
HTT P42858 1/20 0.44
DUSP3 P51452 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
WRN Q14191 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6153683 0.92 GUSB (0.51) GUSBS1PR1ROCK1ROCK2BLM
SCHEMBL6155528 0.90 GUSB (0.57) GUSBS1PR1ROCK1ROCK2BLM
SCHEMBL6155284 0.89 GUSB (0.56) GUSBS1PR1ROCK1ROCK2BLM
SCHEMBL6155142 0.86 GUSB (0.60) GUSBROCK1ROCK2BLMMEN1
SCHEMBL6153810 0.86 KMO (0.55) GUSBS1PR1ROCK1ROCK2BLM
SCHEMBL6154359 0.85 GUSB (0.65) GUSBROCK1ROCK2BLMMEN1
SCHEMBL6154959 0.84 GUSB (0.49) GUSBS1PR1ROCK1ROCK2BLM
SCHEMBL6153840 0.83 GUSB (0.58) GUSBROCK1ROCK2BLMMEN1
SCHEMBL4954816 0.82 GUSB (0.56) GUSBROCK1ROCK2BLMMEN1
SCHEMBL6154309 0.82 GUSB (0.58) GUSBROCK1ROCK2BLMMEN1

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 4 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 claimed
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 GUSB 2466/4885S1PR1 1193/4885ROCK1 3290/4885

“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.