SCHEMBL6154713

SCHEMBL6154713

Clc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.58
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 3/20 0.50
BLM P54132 4/20 0.49
PTGS2 P35354 3/20 0.49
ALOX5 P09917 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.45
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
HPN P05981 1/20 0.44

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
SCHEMBL12297321 0.79 SMN1; SMN2 (0.77) RAB9APTGS2ALOX5KMT2AMEN1
SCHEMBL6155747 0.77 GUSB (0.70) GUSBRAB9AKDM4EBLMKMT2A
SCHEMBL6154609 0.77 GUSB (0.59) GUSBKDM4EBLMKMT2AMEN1
SCHEMBL14458592 0.74 PTGS2 (0.79) RAB9APTGS2ALOX5KMT2AMEN1
SCHEMBL7148349 0.73 ROCK2 (0.61) GUSBKDM4EBLMKMT2AMEN1
SCHEMBL6155161 0.73 GUSB (0.60) GUSBKDM4EBLMALOX5KMT2A
SCHEMBL6156037 0.73 GUSB (0.69) GUSBRAB9AKDM4EBLMKMT2A
SCHEMBL6154782 0.73 GUSB (0.69) GUSBRAB9AKDM4EBLMKMT2A
SCHEMBL12297216 0.71 SMN1; SMN2 (0.77) RAB9APTGS2ALOX5KMT2AMEN1
SCHEMBL6155706 0.71 GUSB (0.72) GUSBKDM4EBLMALOX5KMT2A

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 4 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 claimed
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 2466/4885RAB9A 3814/4885KDM4E 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.