SCHEMBL14987237

SCHEMBL14987237

COCCC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)CCOC)s2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLS O94925 17/20 1.00
KAT8 Q9H7Z6 1/20 0.60
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL14987236 0.87 GLS (1.00) GLSHSD17B10
SCHEMBL19920277 0.83 GLS (0.78) GLSKAT8
SCHEMBL18122469 0.80 GLS (0.70) GLSKAT8
SCHEMBL14987008 0.80 GLS (1.00) GLS
SCHEMBL14986991 0.78 GLS (0.77) GLSKAT8
SCHEMBL14987610 0.78 GLS (1.00) GLSKAT8
SCHEMBL14987158 0.78 GLS (1.00) GLS
SCHEMBL14986989 0.78 GLS (1.00) GLSKAT8
SCHEMBL14987420 0.76 GLS (0.79) GLSHSD17B10
SCHEMBL21443484 0.76 GLS (0.73) 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 30 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
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
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
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 (8 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 1/4885KAT8 1708/4885HSD17B10 521/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885KAT8 1708/4885HSD17B10 521/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885KAT8 1708/4885HSD17B10 521/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885KAT8 1968/4885HSD17B10 1739/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885KAT8 1708/4885HSD17B10 521/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885KAT8 1799/4885HSD17B10 818/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885KAT8 1639/4885HSD17B10 619/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885KAT8 1708/4885HSD17B10 521/4885

“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.