SCHEMBL5260253

SCHEMBL5260253

CS(=O)(=O)OCc1ccc2nsnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
PTPN11 Q06124 2/20 0.38
PIK3CD O00329 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
OPRK1 P41145 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL5654900 0.84 MEN1 (0.37) MEN1KMT2ATSHRHTTPTPN11
SCHEMBL8565646 0.77 KCNJ1 (0.43) TSHRPIK3CDHSD17B10MAPTALDH1A1
SCHEMBL4952656 0.74 CA2 (0.58) KMT2ATSHRHTTPTPN11KDM4E
SCHEMBL1161382 0.74 PRMT3 (0.46) MAPTALDH1A1POLBCA2CA9
SCHEMBL5261521 0.74 THRB (0.41) MEN1KMT2AHTTKDM4EMAPT
SCHEMBL837082 0.74 ALDH1A1 (0.44) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL14858946 0.73 NPC1 (0.40) KMT2AKDM4EHSD17B10MAPTALDH1A1
SCHEMBL8063113 0.71 CA2 (0.45) TSHRKDM4EPTPN1ALDH1A1LMNA
SCHEMBL257319 0.71 PTPN11 (0.48) MEN1KMT2AHTTPTPN11KDM4E
SCHEMBL4049830 0.71 ALDH1A1 (0.46) TSHRHTTKDM4EHSD17B10MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (2 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 MEN1 2019/4885KMT2A 4789/4885TSHR 3678/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH MEN1 2014/4885KMT2A 4848/4885TSHR 3219/4885

“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.