SCHEMBL15042339

SCHEMBL15042339

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)s2)s1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 18/20 0.80
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL16305174 1.00 GLS (0.80) GLSLMNAMAPTCTSSCTSK
SCHEMBL21369057 0.94 GLS (0.71) GLSLMNAMAPT
SCHEMBL14987547 0.93 GLS (0.75) GLSLMNAMAPT
SCHEMBL19920328 0.93 GLS (0.75) GLSLMNAMAPT
SCHEMBL14987621 0.90 GLS (0.65) GLSLMNAMAPTCTSSCTSK
SCHEMBL16305175 0.90 GLS (0.65) GLSLMNAMAPTCTSSCTSK
SCHEMBL15042275 0.89 GLS (1.00) GLS
SCHEMBL14987541 0.88 GLS (1.00) GLS
SCHEMBL18137256 0.83 GLS (0.63) GLSLMNAMAPTCTSSCTSK
SCHEMBL14987549 0.81 GLS (0.70) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 US disclosed
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2019-10-15 US disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE LIANG YU (US) 2018-03-01 US disclosed
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE LIANG YU (US) 2018-03-01 US disclosed
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2015-09-17 US disclosed
US-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2015-09-17 US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 US disclosed
US-8865718-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2014-10-21 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 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 (10 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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885LMNA 4535/4885MAPT 3123/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885LMNA 4535/4885MAPT 3123/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885LMNA 4535/4885MAPT 3123/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885LMNA 4764/4885MAPT 4458/4885
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase KRAS, GLS, GLUL GLS 2/4885LMNA 4764/4885MAPT 4458/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885LMNA 4498/4885MAPT 3759/4885
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885LMNA 4293/4885MAPT 3514/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885LMNA 4403/4885MAPT 4290/4885
US-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS GLS, GLUL, GLS2 GLS 1/4885LMNA 4558/4885MAPT 4563/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885LMNA 4535/4885MAPT 3123/4885

“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.