SCHEMBL15724922

SCHEMBL15724922

O=C(CC1CCCCO1)Nc1nnc(CCS(=O)(=O)CCc2nnc(NC(=O)CC3CCCCO3)s2)s1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 8/20 0.50
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL21443355 0.91 GLS (0.45) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21360271 0.91 GLS (0.42) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21443408 0.85 GLS (0.67) GLS
SCHEMBL15725232 0.71 ALDH1A1 (0.63) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15725047 0.71 ALDH1A1 (0.63) GLSTSHRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15727744 0.71 GLS (0.89) GLSALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL14987001 0.71 GLS (0.89) GLSALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL14986996 0.68 GLS (0.90) GLSALDH1A1CA2
SCHEMBL14986949 0.68 GLS (1.00) GLSALDH1A1CA2
SCHEMBL15724894 0.67 GLS (0.76) 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 11 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-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
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 1/4885TSHR 4186/4885ALDH1A1 553/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL GLS 1/4885TSHR 4186/4885ALDH1A1 553/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL GLS 1/4885TSHR 4337/4885ALDH1A1 706/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885TSHR 4360/4885ALDH1A1 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.

Send feedback