SCHEMBL15727753

SCHEMBL15727753

O=C(Nc1nnc(CCCCc2nnc(NC(=O)C3CCCCC3)s2)s1)C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 6/20 0.76
▸ ALDH1A1 P00352 4/20 0.76
▸ HSD17B10 Q99714 3/20 0.76
▸ HPGD P15428 1/20 0.76
▸ GAA P10253 2/20 0.68
▸ POLB P06746 1/20 0.68
▸ MAPK1 P28482 1/20 0.67
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 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
SCHEMBL14987417 1.00 GLS (0.76) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL15727756 0.97 GAA (0.73) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL15727757 0.94 GLS (0.67) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL21360259 0.89 GLS (0.63) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL14987619 0.87 GLS (1.00) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL21484927 0.84 GLS (0.78) GLS
SCHEMBL15727678 0.83 GLS (0.57) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL14987001 0.81 GLS (0.89) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL15727744 0.81 GLS (0.89) GLSALDH1A1HSD17B10HPGDGAA
SCHEMBL14987259 0.79 GLS (1.00) GLSALDH1A1HSD17B10SMN1; SMN2RAB9A

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 7 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-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
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 GLS 1/4885ALDH1A1 553/4885HSD17B10 510/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL GLS 1/4885ALDH1A1 553/4885HSD17B10 510/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 706/4885HSD17B10 631/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 444/4885HSD17B10 534/4885

“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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