SCHEMBL15724973

SCHEMBL15724973

O=C(Cc1cccs1)Nc1nnc(C[C@@H]2C[C@H]2Cc2nnc(NC(=O)Cc3cccs3)s2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.70
ESR1 P03372 2/20 0.67
POLB P06746 10/20 0.66
L3MBTL1 Q9Y468 4/20 0.66
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
CTDSP1 Q9GZU7 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
RECQL P46063 2/20 0.66
APEX1 P27695 2/20 0.66
MCL1 Q07820 2/20 0.66
ESR2 Q92731 2/20 0.66
THRB P10828 1/20 0.66
APOBEC3A P31941 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
PSMD14 O00487 1/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
F2 P00734 1/20 0.65

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
SCHEMBL15724977 1.00 GLS (0.70) GLSESR1POLBL3MBTL1ALDH1A1
SCHEMBL17172556 1.00 GLS (0.70) GLSESR1POLBL3MBTL1ALDH1A1
SCHEMBL16306830 0.83 GLS (0.95) GLSESR1POLBL3MBTL1ALDH1A1
SCHEMBL14986950 0.83 GLS (1.00) GLSESR1POLBL3MBTL1ALDH1A1
SCHEMBL14987036 0.81 GLS (1.00) GLS
SCHEMBL14986983 0.81 GLS (1.00) GLS
SCHEMBL22030782 0.81 GLS (1.00) GLS
SCHEMBL14987287 0.80 GLS (1.00) GLSESR1POLBL3MBTL1ALDH1A1
SCHEMBL15724975 0.78 GLS (1.00) GLS
SCHEMBL17172555 0.78 GLS (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689375-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-03-21 US disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
WO-2014079136-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES AS GLUTAMINASE INHIBITORS FOR TREATING CANCERS THEREOF AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
WO-2014079150-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
WO-2014079011-A1 HETEROCYCLIC COMPOUNDS FOR INHIBITING GLUTAMINASE AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-20140142081-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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ESR1 2875/4885POLB 880/4885
US-20190084976-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ESR1 3827/4885POLB 381/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL GLS 1/4885ESR1 3827/4885POLB 381/4885
US-10689375-B2 Compounds and their methods of use GLS, GLS2, GLUL GLS 1/4885ESR1 3827/4885POLB 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.