SCHEMBL15724908

SCHEMBL15724908

O=C(Nc1nnc(CCS(=O)(=O)CCc2nnc(NC(=O)OCc3ccccc3)s2)s1)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
GLS O94925 10/20 0.69
LMNA P02545 1/20 0.62
KDM4E B2RXH2 2/20 0.62
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GAA P10253 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.51
SRC P12931 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL21443522 0.90 SMN1; SMN2 (0.59) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443545 0.87 SMN1; SMN2 (0.59) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443551 0.86 GLS (0.55) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443394 0.84 GLS (0.74) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL17193290 0.83 GLS (0.65) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL15724894 0.81 GLS (0.76) GLS
SCHEMBL14987311 0.81 GLS (1.00) SMN1; SMN2GLS
SCHEMBL15724909 0.81 RAB9A (0.67) SMN1; SMN2GLSLMNAHSD17B10POLB
SCHEMBL17655082 0.80 GLS (0.80) GLS
SCHEMBL21443388 0.80 SMN1; SMN2 (0.69) SMN1; SMN2GLSLMNAKDM4EUSP2

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 SMN1; SMN2 4036/4885GLS 1/4885LMNA 4027/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL SMN1; SMN2 4036/4885GLS 1/4885LMNA 4027/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL SMN1; SMN2 3965/4885GLS 1/4885LMNA 4026/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL SMN1; SMN2 3566/4885GLS 1/4885LMNA 3478/4885

“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.