SCHEMBL6154727

SCHEMBL6154727

CCOc1ccc(-c2nnc(Nc3ccc(Br)c(Cl)c3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.61
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4E B2RXH2 5/20 0.48
TP53 P04637 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
S1PR1 P21453 1/20 0.42
MAPT P10636 5/20 0.42
BLM P54132 1/20 0.42
HPN P05981 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL6153921 0.88 NOTUM (0.53) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6155440 0.82 GUSB (0.52) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6153841 0.81 GUSB (0.72) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6156992 0.79 MEN1 (0.64) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6154672 0.77 GUSB (0.61) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6155606 0.77 GUSB (0.61) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6154089 0.76 SNCA (0.51) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6154986 0.76 GUSB (0.47) GUSBMEN1POLBKMT2ACTDSP1
SCHEMBL6154211 0.76 NOTUM (0.54) GUSBMEN1POLBKMT2AKDM4E
SCHEMBL6155696 0.75 GUSB (0.49) GUSBMEN1POLBKMT2ACTDSP1

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 2466/4885MEN1 4329/4885POLB 3621/4885

“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.