SCHEMBL6153683

SCHEMBL6153683

O=C(O)CCc1cccc(Oc2cccc(-c3nnc(Nc4ccc(Cl)c(Cl)c4)s3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.51
ROCK1 Q13464 2/20 0.48
ROCK2 O75116 1/20 0.48
FFAR1 O14842 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
GNA15 P30679 1/20 0.45
PTGER3 P43115 1/20 0.45
S1PR1 P21453 1/20 0.44
BLM P54132 4/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
DNMT1 P26358 1/20 0.42
HTT P42858 1/20 0.42
DUSP3 P51452 1/20 0.42

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
SCHEMBL6153472 0.92 GUSB (0.53) GUSBROCK1ROCK2FFAR1TDP1
SCHEMBL6154959 0.89 GUSB (0.49) GUSBROCK1ROCK2TDP1S1PR1
SCHEMBL6155284 0.86 GUSB (0.56) GUSBROCK1ROCK2TDP1S1PR1
SCHEMBL6155528 0.86 GUSB (0.57) GUSBROCK1ROCK2TDP1S1PR1
SCHEMBL6155142 0.84 GUSB (0.60) GUSBROCK1ROCK2TDP1BLM
SCHEMBL6153810 0.84 KMO (0.55) GUSBROCK1ROCK2TDP1S1PR1
SCHEMBL6154359 0.83 GUSB (0.65) GUSBROCK1ROCK2TDP1BLM
SCHEMBL6155199 0.81 ROCK1 (0.45) GUSBROCK1ROCK2S1PR1BLM
SCHEMBL6153733 0.81 ROCK1 (0.43) GUSBROCK1ROCK2S1PR1BLM
SCHEMBL6153840 0.80 GUSB (0.58) GUSBROCK1ROCK2TDP1BLM

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 GUSB 2466/4885ROCK1 3290/4885ROCK2 3224/4885

“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.