SCHEMBL14987651

SCHEMBL14987651

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

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.69
▸ GLS O94925 10/20 0.67
▸ HSD17B10 Q99714 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ USP2 O75604 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.58
▸ TSHR P16473 1/20 0.57
▸ KAT8 Q9H7Z6 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
SCHEMBL19754339 0.85 NPSR1 (0.92) RECQLNPSR1GLSHSD17B10KDM4E
SCHEMBL21443392 0.82 GLS (0.65) GLSTSHR
SCHEMBL21443484 0.82 GLS (0.73) GLS
SCHEMBL14987158 0.80 GLS (1.00) GLS
SCHEMBL21443394 0.79 GLS (0.74) GLSHSD17B10KDM4EUSP2HPGD
SCHEMBL14986991 0.78 GLS (0.77) GLSKAT8
SCHEMBL21443388 0.77 SMN1; SMN2 (0.69) GLSHSD17B10KDM4EUSP2HPGD
SCHEMBL21443384 0.77 GLS (0.71) GLS
SCHEMBL14987534 0.76 GLS (1.00) GLSTSHR
SCHEMBL14987008 0.76 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 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-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
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 RECQL 1181/4885NPSR1 3400/4885GLS 1/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL RECQL 1181/4885NPSR1 3400/4885GLS 1/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL RECQL 1181/4885NPSR1 3400/4885GLS 1/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL RECQL 2372/4885NPSR1 4515/4885GLS 2/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL RECQL 1181/4885NPSR1 3400/4885GLS 1/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL RECQL 1619/4885NPSR1 1613/4885GLS 1/4885
US-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL RECQL 786/4885NPSR1 3800/4885GLS 1/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL RECQL 1181/4885NPSR1 3400/4885GLS 1/4885

“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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