SCHEMBL6155528

SCHEMBL6155528

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.57
ROCK1 Q13464 4/20 0.46
PRKACA P17612 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
BLM P54132 4/20 0.45
ROCK2 O75116 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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 0.90 GUSB (0.53) GUSBROCK1PRKACAPOLBMEN1
SCHEMBL6155284 0.87 GUSB (0.56) GUSBROCK1PRKACAPOLBMEN1
SCHEMBL6153683 0.86 GUSB (0.51) GUSBROCK1POLBMEN1KMT2A
SCHEMBL6154959 0.86 GUSB (0.49) GUSBROCK1PRKACAPOLBMEN1
SCHEMBL4954816 0.85 GUSB (0.56) GUSBROCK1POLBMEN1KMT2A
SCHEMBL6154359 0.84 GUSB (0.65) GUSBROCK1POLBMEN1KMT2A
SCHEMBL6154135 0.83 GUSB (0.75) GUSBROCK1POLBMEN1KMT2A
SCHEMBL6155142 0.83 GUSB (0.60) GUSBROCK1POLBMEN1KMT2A
SCHEMBL6153810 0.82 KMO (0.55) GUSBROCK1POLBMEN1KMT2A
SCHEMBL6154575 0.81 GUSB (0.61) GUSBROCK1POLBMEN1KMT2A

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 3290/4885PRKACA 179/4885

“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.