SCHEMBL15727756

SCHEMBL15727756

O=C(Nc1nnc(CCCCc2nnc(NC(=O)C3CCC3)s2)s1)C1CCC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.73
▸ GLS O94925 7/20 0.72
▸ ALDH1A1 P00352 4/20 0.71
▸ HSD17B10 Q99714 3/20 0.71
▸ HPGD P15428 1/20 0.71
▸ POLB P06746 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA9 Q16790 1/20 0.54

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
SCHEMBL15727753 0.97 GLS (0.76) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL14987417 0.97 GLS (0.76) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL15727757 0.94 GLS (0.67) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL21360259 0.87 GLS (0.63) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL14987619 0.84 GLS (1.00) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL15727678 0.83 GLS (0.57) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL21484927 0.82 GLS (0.78) GLS
SCHEMBL14987103 0.79 GLS (1.00) GLSALDH1A1HSD17B10HPGDPOLB
SCHEMBL14987001 0.78 GLS (0.89) GAAGLSALDH1A1HSD17B10HPGD
SCHEMBL15727744 0.78 GLS (0.89) GAAGLSALDH1A1HSD17B10HPGD

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
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 — — EP disclosed
US-10414740-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-10011574-B2 Glutaminase inhibitors and method of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 — — US disclosed
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
WO-2014081925-A1 GLUTAMASE INHIBITORS AND METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO disclosed
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — 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 (4 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-10011574-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL GAA 29/4885GLS 1/4885ALDH1A1 553/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL GAA 29/4885GLS 1/4885ALDH1A1 553/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL GAA 24/4885GLS 1/4885ALDH1A1 706/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GAA 19/4885GLS 1/4885ALDH1A1 444/4885

“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.

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