SCHEMBL15724909

SCHEMBL15724909

O=C(CCc1ccccc1)Nc1nnc(CCS(=O)(=O)CCc2nnc(NC(=O)CCc3ccccc3)s2)s1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
POLB P06746 2/20 0.67
NPC1 O15118 2/20 0.67
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CA2 P00918 1/20 0.65
HSD17B10 Q99714 1/20 0.64
GLS O94925 5/20 0.60
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL15724894 0.89 GLS (0.76) GLS
SCHEMBL15724918 0.87 GLS (0.64) RAB9AL3MBTL1POLBNPC1TP53
SCHEMBL14987543 0.87 GLS (0.78) RAB9AL3MBTL1POLBNPC1TP53
SCHEMBL20340838 0.87 RAB9A (0.53) RAB9AL3MBTL1POLBNPC1TP53
SCHEMBL15724907 0.86 GLS (0.78) RAB9AL3MBTL1POLBNPC1TP53
SCHEMBL14987420 0.84 GLS (0.79) RAB9AL3MBTL1POLBNPC1TP53
SCHEMBL15748890 0.83 GLS (0.79) GLS
SCHEMBL15727739 0.83 GLS (0.71) GLS
SCHEMBL15748889 0.82 GLS (0.79) GLS
SCHEMBL21360273 0.82 GLS (0.67) 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 RAB9A 2293/4885L3MBTL1 3070/4885POLB 520/4885
US-10414740-B2 Glutaminase inhibitors and method of use GLS, GLS2, GLUL RAB9A 2293/4885L3MBTL1 3070/4885POLB 520/4885
US-20150299152-A1 GLUTAMASE INHIBITORS AND METHOD OF USE GLS, GLS2, GLUL RAB9A 2289/4885L3MBTL1 2953/4885POLB 500/4885
US-20140142146-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL RAB9A 1896/4885L3MBTL1 2976/4885POLB 381/4885

“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.