SCHEMBL15043785

SCHEMBL15043785

O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)s1

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.90

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
SCHEMBL15782608 1.00 GLS (0.90) GLS
SCHEMBL15043822 0.95 GLS (1.00) GLS
SCHEMBL22030994 0.92 GLS (0.77) GLS
SCHEMBL15042352 0.91 GLS (1.00) GLS
SCHEMBL15042349 0.91 GLS (1.00) GLS
SCHEMBL14987365 0.90 GLS (0.82) GLS
SCHEMBL20034373 0.90 GLS (0.82) GLS
SCHEMBL2640644 0.89 GLS (1.00) GLS
SCHEMBL14987013 0.88 GLS (1.00) GLS
SCHEMBL14987307 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.