SCHEMBL15043799

SCHEMBL15043799

CC(C)(C)OC(=O)Nc1ccc(CC(=O)Cc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(NC(=O)OC(C)(C)C)cc4)s3)s2)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.82

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
SCHEMBL14987182 0.94 GLS (0.92) GLS
SCHEMBL19920310 0.88 GLS (0.81) GLS
SCHEMBL15043811 0.85 GLS (0.77) GLS
SCHEMBL15043828 0.84 GLS (0.64) GLS
SCHEMBL15042464 0.82 GLS (0.79) GLS
SCHEMBL14987143 0.82 GLS (1.00) GLS
SCHEMBL22623479 0.82 GLS (0.71) GLS
SCHEMBL14987193 0.77 GLS (0.73) GLS
SCHEMBL21369071 0.76 GLS (0.62) GLS
SCHEMBL15043794 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
US-20170369485-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE SYNHALE THERAPEUTICS INC. 2017-12-28 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-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2014-12-18 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 (5 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-20160287585-A1 Treatment of Lung Cancer with Inhibitors of Glutaminase KRAS, GLS, GLUL GLS 2/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS GLS, GLS2, GLUL GLS 1/4885
US-20170369485-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 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.