SCHEMBL16887486

SCHEMBL16887486

N#CCCC#Cc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 17/20 0.47
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ BRAF P15056 1/20 0.42

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
SCHEMBL16887479 0.89 BRAF (0.43) GLSBRAF
SCHEMBL18135218 0.88 GLS (0.51) GLSBRAF
SCHEMBL15728060 0.84 GLS (0.53) GLS
SCHEMBL29679027 0.84 GLS (0.53) GLS
SCHEMBL16879763 0.84 GLS (0.65) GLS
SCHEMBL16879072 0.84 GLS (0.49) GLSBRAF
SCHEMBL16879416 0.84 GLS (0.51) GLSBRAF
SCHEMBL16887490 0.83 GLS (0.46) GLS
SCHEMBL18135196 0.83 L3MBTL1 (0.48) GLSCACNA1GCACNA1HCACNA1I
SCHEMBL16879516 0.83 GLS (0.51) GLSBRAF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885CACNA1G 3956/4885CACNA1H 4199/4885

“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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