SCHEMBL6156992

SCHEMBL6156992

COc1ccc(-c2nnc(Nc3ccc(Br)c(Cl)c3)s2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
GUSB P08236 2/20 0.60
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
S1PR1 P21453 2/20 0.46
ALOX5 P09917 1/20 0.45
IMPDH2 P12268 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PRKCQ Q04759 1/20 0.41
BLM P54132 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
SCHEMBL6155606 0.84 GUSB (0.61) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6154089 0.81 SNCA (0.51) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6155696 0.80 GUSB (0.49) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6154727 0.79 GUSB (0.61) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6154986 0.78 GUSB (0.47) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6155440 0.77 GUSB (0.52) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6153921 0.77 NOTUM (0.53) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6155051 0.76 GUSB (0.63) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL6156141 0.76 GUSB (0.48) MEN1POLBKMT2ACTDSP1GUSB
SCHEMBL12682371 0.74 ALDH1A1 (0.57) MEN1KMT2AKDM4EHPGDALDH1A1

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 MEN1 4329/4885POLB 3621/4885KMT2A 875/4885

“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.