SCHEMBL3274175

SCHEMBL3274175

CCC(N)C(=O)NCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.45
RECQL P46063 1/20 0.44
BIRC2 Q13490 1/20 0.43
DPP7 Q9UHL4 3/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
SLC1A1 P43005 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.36
RRM1 P23921 1/20 0.35
USP2 O75604 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
S1PR2 O95136 2/20 0.34

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
SCHEMBL3274173 1.00 TET2 (0.45) TET2RECQLBIRC2DPP7DPP4
SCHEMBL14031294 0.85 GAA (0.49) TSHRKDM4EGAAEPHX2ALDH1A1
SCHEMBL31276860 0.84 TET2 (0.45) TET2RECQLBIRC2DPP7TSHR
SCHEMBL2077913 0.84 TET2 (0.45) TET2RECQLBIRC2DPP7TSHR
SCHEMBL14031407 0.84 TET2 (0.45) TET2RECQLBIRC2DPP7DPP4
SCHEMBL9780221 0.82 TET2 (0.44) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL9780217 0.82 TET2 (0.44) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL13402905 0.81 DPP7 (0.43) DPP7DPP4DPP8DPP9TSHR
SCHEMBL23085255 0.81 SLC1A1 (0.49) TET2RECQLBIRC2DPP7DPP4
SCHEMBL10954441 0.81 SLC7A5 (0.45) TET2RECQLBIRC2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071741-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN MEDICINE EPICENTRIX, INC. (US) 2018-04-19 WO disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 US disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 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 (3 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR TET2 4139/4885RECQL 4685/4885BIRC2 3272/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 TET2 61/4885RECQL 1127/4885BIRC2 4714/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 TET2 30/4885RECQL 1470/4885BIRC2 4499/4885

“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.