SCHEMBL17193289

SCHEMBL17193289

O=C(Nc1nnc(CC[S+]([O-])CCc2nnc(NC(=O)Oc3ccccc3)s2)s1)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 9/20 0.64
LMNA P02545 2/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
MIF P14174 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
SRC P12931 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL17655084 0.92 GLS (0.79) GLS
SCHEMBL17193491 0.86 GLS (0.82) GLSLMNAPOLBALDH1A1MEN1
SCHEMBL17193288 0.85 GLS (0.80) GLSLMNAPOLBALDH1A1MEN1
SCHEMBL5345562 0.84 GLS (0.67) GLSLMNAPOLBALDH1A1MEN1
SCHEMBL15724893 0.82 GLS (0.67) GLS
SCHEMBL1011592 0.82 POLB (0.68) GLSLMNAPOLBALDH1A1MEN1
SCHEMBL17193290 0.81 GLS (0.65) GLSLMNAPOLBALDH1A1MEN1
SCHEMBL17193292 0.81 GLS (0.64) GLSLMNAPOLBALDH1A1MEN1
SCHEMBL15724896 0.79 GLS (0.74) GLS
SCHEMBL17193287 0.78 GLS (0.66) GLSLMNAPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US disclosed
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE SERVIER PHARMACEUTICALS LLC 2015-10-22 US 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-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL GLS 1/4885LMNA 4026/4885POLB 500/4885

“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.