SCHEMBL6154672

SCHEMBL6154672

CCOc1cccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.61
NOTUM Q6P988 1/20 0.56
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
ROCK1 Q13464 2/20 0.48
ROCK2 O75116 2/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
BLM P54132 2/20 0.47
DHODH Q02127 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL6154585 0.90 NOTUM (0.53) GUSBNOTUMKDM4EALDH1A1HPGD
SCHEMBL6153921 0.90 NOTUM (0.53) GUSBNOTUMKDM4EALDH1A1HPGD
SCHEMBL6153628 0.87 ROCK1 (0.53) GUSBNOTUMKDM4EALDH1A1HPGD
SCHEMBL6154359 0.85 GUSB (0.65) GUSBKDM4EALDH1A1ROCK1ROCK2
SCHEMBL6155142 0.84 GUSB (0.60) GUSBKDM4EALDH1A1ROCK1ROCK2
SCHEMBL6153577 0.84 NOTUM (0.65) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154281 0.83 NOTUM (0.57) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154211 0.82 NOTUM (0.54) GUSBNOTUMKDM4EALDH1A1HPGD
SCHEMBL6154135 0.82 GUSB (0.75) GUSBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154575 0.82 GUSB (0.61) GUSBKDM4EALDH1A1HPGDHSD17B10

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 2466/4885NOTUM 1783/4885KDM4E 1133/4885

“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.