SCHEMBL7607443

SCHEMBL7607443

Nc1nnc(CCSCCc2nnc(N)s2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 1.00
ALDH1A1 P00352 4/20 0.61
POLB P06746 3/20 0.61
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL14987395 0.90 GLS (0.81) GLSALDH1A1POLBATML3MBTL1
SCHEMBL14987396 0.89 GLS (0.79) GLSALDH1A1POLBATML3MBTL1
SCHEMBL21443428 0.84 GLS (0.71) GLSALDH1A1POLB
SCHEMBL19003804 0.80 GLS (0.65) GLSALDH1A1POLB
SCHEMBL19003803 0.79 GLS (0.63) GLSALDH1A1POLBGAA
SCHEMBL10950901 0.79
SCHEMBL14977428 0.78 ALDH1A1 (0.86) GLSALDH1A1POLBATML3MBTL1
SCHEMBL14975757 0.78 ALDH1A1 (0.95) GLSALDH1A1POLBATML3MBTL1
SCHEMBL14987653 0.78 GLS (0.83) GLS
SCHEMBL15742414 0.78 GLS (0.63) GLSALDH1A1POLBATML3MBTL1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191732-B2 Glutaminase inhibitor discovery and nanoparticle-enhanced delivery for cancer therapy THE JOHNS HOPKINS UNIVERSITY (US) 2021-12-07 US disclosed
CN-108785305-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2021-10-29 CN disclosed
US-10975048-B2 Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity HANGZHOU JENNIFER BIOTECH CO LTD (CN) 2021-04-13 US disclosed
US-20200246274-A1 GLUTAMINASE INHIBITOR DISCOVERY AND NANOPARTICLE-ENHANCED DELIVERY FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY 2020-08-06 US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 US disclosed
US-10660861-B2 Glutaminase inhibitor discovery and nanoparticle-enhanced delivery for cancer therapy THE JOHNS HOPKINS UNIVERSITY (US) 2020-05-26 US disclosed
EP-3620162-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2020-03-11 EP disclosed
CN-104220070-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2020-01-21 CN disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 US 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-8604016-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2013-12-10 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
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
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 WO disclosed
US-6451828-B1 USEFUL FOR NEUROPROTECTION AND IN TREATMENT OF HEPATIC ENCEPHALOPATHY; BIS(2-((5-CARBONYLAMINO)-1,3,4-THIADIAZOL-2-YL)ETHYL) ETHER OR SULFIDE DERIVATIVES ELAN PHARMACEUTICALS, INC. 2002-09-17 US disclosed
US-20020115698-A1 SELECTIVE INHIBITION OF GLUTAMINASE BY BIS-THIADIAZOLES ELAN PHARMACEUTICALS, INC. 2002-08-22 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 (9 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 639/4885POLB 2684/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885POLB 2684/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885POLB 2684/4885
US-20020115698-A1 SELECTIVE INHIBITION OF GLUTAMINASE BY BIS-THIADIAZOLES GLS2, GLS, GLUL GLS 2/4885ALDH1A1 185/4885POLB 2355/4885
US-20200246274-A1 GLUTAMINASE INHIBITOR DISCOVERY AND NANOPARTICLE-ENHANCED DELIVERY FOR CANCER THERAPY GLS2, GLS, GLUL GLS 2/4885ALDH1A1 678/4885POLB 2694/4885
US-10660861-B2 Glutaminase inhibitor discovery and nanoparticle-enhanced delivery for cancer therapy GLS2, GLS, GLUL GLS 2/4885ALDH1A1 678/4885POLB 2694/4885
US-11191732-B2 Glutaminase inhibitor discovery and nanoparticle-enhanced delivery for cancer therapy GLS2, GLS, GLUL GLS 2/4885ALDH1A1 678/4885POLB 2694/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 639/4885POLB 2684/4885
US-10975048-B2 Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity GPX4, GPX1, SELENOI GLS 54/4885ALDH1A1 1109/4885POLB 1682/4885

“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.