SCHEMBL16879523

SCHEMBL16879523

N#CCCCCc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 17/20 0.49
▸ RIPK1 Q13546 2/20 0.43
▸ RIPK3 Q9Y572 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.41

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
SCHEMBL16879071 0.83 GLS (0.43) GLSRIPK1RIPK3NLRP3
SCHEMBL16887478 0.82 GLS (0.61) GLS
SCHEMBL16887499 0.82 RIPK1 (0.43) GLSRIPK1RIPK3NLRP3
SCHEMBL16879493 0.82 GLS (0.50) GLS
SCHEMBL16879761 0.81 GLS (0.70) GLS
SCHEMBL16887491 0.79 GLS (0.51) GLS
SCHEMBL16879519 0.79 NPC1 (0.52) GLSRIPK1RIPK3NLRP3
SCHEMBL29678831 0.79 GLS (0.71) GLS
SCHEMBL14976200 0.79 GLS (0.71) GLS
SCHEMBL16879408 0.78 GLS (0.53) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920180-A Glutaminase inhibitors 理森制药股份公司 2021-06-08 — — CN disclosed
CN-105960405-B Glutaminase inhibitors 理森制药股份公司 2021-02-19 — — CN disclosed
EP-3092235-A2 NOVEL INHIBITORS OF GLUTAMINASE Rhizen Pharmaceuticals S.A. (CH) 2016-11-16 — — EP disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 — — US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 — — US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 — — US disclosed
CN-105960405-A glutaminase inhibitors 理森制药股份公司 2016-09-21 — — CN disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 — — WO disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 — — 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 (1 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-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885RIPK1 2126/4885RIPK3 2079/4885

“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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