SCHEMBL14987537

SCHEMBL14987537

O=C(Nc1nnc(CCSCCc2nnc(NC(=O)C3CCOCC3)s2)s1)C1CCOCC1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 16/20 0.86
▸ HSD17B10 Q99714 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 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
SCHEMBL14987273 0.92 GLS (1.00) GLSHSD17B10MAPK1
SCHEMBL20033181 0.92 GLS (0.73) GLSHSD17B10MAPK1GAA
SCHEMBL14987619 0.88 GLS (1.00) GLSHSD17B10MAPK1GAAALDH1A1
SCHEMBL20034588 0.85 GLS (0.64) GLSHSD17B10MAPK1GAAALDH1A1
SCHEMBL22031503 0.82 GLS (0.78) GLSHSD17B10MAPK1
SCHEMBL21368799 0.81 GLS (0.80) GLSHSD17B10MAPK1GAAALDH1A1
SCHEMBL14987102 0.80 GLS (1.00) GLSHSD17B10ALDH1A1HPGD
SCHEMBL19754323 0.78 GLS (0.56) GLSHSD17B10MAPK1GAAALDH1A1
SCHEMBL21368796 0.78 GLS (0.76) GLSHSD17B10MAPK1GAAALDH1A1
SCHEMBL21369061 0.77 GLS (0.78) GLSHSD17B10MAPK1GAAALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277276-B1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES INC (US) 2020-11-04 — — EP disclosed
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
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 — — WO 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
WO-2016164401-A1 TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2016-10-13 — — WO disclosed
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase CALITHERA BIOSCIENCES, INC. 2016-10-06 — — US disclosed
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 — — US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 — — US disclosed
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 — — US disclosed
US-8865718-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2014-10-21 — — US disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 — — WO 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
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 — — WO 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 (9 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 1/4885HSD17B10 521/4885MAPK1 2959/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885MAPK1 2959/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885MAPK1 2959/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885HSD17B10 1739/4885MAPK1 1404/4885
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase KRAS, GLS, GLUL GLS 2/4885HSD17B10 1739/4885MAPK1 1404/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885MAPK1 2959/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 818/4885MAPK1 2582/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 619/4885MAPK1 3036/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885MAPK1 2959/4885

“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.

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