SCHEMBL16306830

SCHEMBL16306830

O=C(Cc1cccs1)Nc1nnc(CCCc2nnc(NC(=O)Cc3cccs3)s2)s1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.95
POLB P06746 9/20 0.84
L3MBTL1 Q9Y468 4/20 0.84
HSD17B10 Q99714 4/20 0.84
TDP1 Q9NUW8 3/20 0.84
MEN1 O00255 3/20 0.84
KMT2A Q03164 3/20 0.84
CTDSP1 Q9GZU7 3/20 0.84
APEX1 P27695 2/20 0.84
ALOX15 P16050 2/20 0.84
PTPN7 P35236 2/20 0.84
GAPDH P04406 1/20 0.84
NR4A1 P22736 1/20 0.84
BLM P54132 1/20 0.84
F2 P00734 1/20 0.78
ALDH1A1 P00352 4/20 0.72
RECQL P46063 2/20 0.72
MCL1 Q07820 2/20 0.72
ESR2 Q92731 2/20 0.72
THRB P10828 1/20 0.72

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
SCHEMBL14986950 0.97 GLS (1.00) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL3418239 0.92 POLB (1.00) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL14987287 0.89 GLS (1.00) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL15043807 0.86 GLS (1.00) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL17172556 0.83 GLS (0.70) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL15724977 0.83 GLS (0.70) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL15724973 0.83 GLS (0.70) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL21368571 0.82 GLS (0.77) GLSPOLBL3MBTL1HSD17B10TDP1
SCHEMBL14987500 0.82 GLS (1.00) GLS
SCHEMBL14987507 0.82 GLS (1.00) GLS

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-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 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 (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-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885POLB 2684/4885L3MBTL1 4146/4885
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885POLB 1892/4885L3MBTL1 2849/4885

“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.