SCHEMBL15043796

SCHEMBL15043796

CC(C)(C)OC(=O)N1CCCC(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)CC4CCCN(C(=O)OC(C)(C)C)C4)s3)s2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 14/20 1.00
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACKR3 P25106 1/20 0.45

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
SCHEMBL15043819 0.92 GLS (1.00) GLS
SCHEMBL14987276 0.88 GLS (0.78) GLSALDH1A1HSD17B10MAPTL3MBTL1
SCHEMBL15043773 0.88 GLS (1.00) GLS
SCHEMBL14987280 0.82 GLS (0.80) GLS
SCHEMBL19920086 0.81 GLS (0.78) GLS
SCHEMBL17412290 0.80 GLS (1.00) GLS
SCHEMBL22203537 0.80 GLS (1.00) GLS
SCHEMBL14987544 0.80 GLS (1.00) GLS
SCHEMBL15727744 0.77 GLS (0.89) GLSALDH1A1HSD17B10
SCHEMBL14987105 0.77 GLS (0.76) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885HSD17B10 521/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885ALDH1A1 885/4885HSD17B10 1739/4885
US-20140369961-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885HSD17B10 521/4885
US-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 293/4885HSD17B10 818/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885HSD17B10 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.

Send feedback