SCHEMBL14987003

SCHEMBL14987003

O=C(Nc1nnc(CCCCc2nnc(NC(=O)C3Oc4ccccc4O3)s2)s1)C1Oc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 18/20 1.00
▸ ALDH1A1 P00352 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL21369063 0.92 GLS (0.84) GLSALDH1A1MAPTNPC1RAB9A
SCHEMBL14987022 0.88 GLS (1.00) GLS
SCHEMBL14987419 0.83 GLS (1.00) GLSALDH1A1MAPTNPC1RAB9A
SCHEMBL14987416 0.80 GLS (1.00) GLSALDH1A1MAPTNPC1RAB9A
SCHEMBL14986997 0.78 GLS (1.00) GLSALDH1A1MAPTNPC1RAB9A
SCHEMBL17085547 0.75 GLS (0.95) GLSALDH1A1MAPTNPC1RAB9A
SCHEMBL15042353 0.73 HTT (0.63) GLS
SCHEMBL21484156 0.73 HTT (0.63) GLS
SCHEMBL19920040 0.73 HTT (0.63) GLS
SCHEMBL22031485 0.73 HTT (0.63) 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 19 patents. 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
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 — — US 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
WO-2016164401-A1 TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2016-10-13 — — WO disclosed
WO-2016160980-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2016-10-06 — — WO 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
WO-2015138902-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. (US) 2015-09-17 — — WO 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
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-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 (11 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 1/4885ALDH1A1 639/4885MAPT 3123/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885MAPT 3123/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885MAPT 3123/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885ALDH1A1 885/4885MAPT 4458/4885
US-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase KRAS, GLS, GLUL GLS 2/4885ALDH1A1 885/4885MAPT 4458/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885MAPT 3123/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 293/4885MAPT 3759/4885
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885ALDH1A1 1051/4885MAPT 3514/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 263/4885MAPT 4290/4885
US-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS GLS, GLUL, GLS2 GLS 1/4885ALDH1A1 704/4885MAPT 4563/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885MAPT 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.

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