SCHEMBL20034516

SCHEMBL20034516

O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)[C@@H](O)c3ccccc3)s2)s1)[C@H](O)Cc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.83

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
SCHEMBL19920304 0.91 GLS (1.00) GLS
SCHEMBL14987368 0.91 GLS (1.00) GLS
SCHEMBL15042364 0.91 GLS (1.00) GLS
SCHEMBL15042454 0.91 GLS (1.00) GLS
SCHEMBL14987405 0.91 GLS (1.00) GLS
SCHEMBL14987404 0.91 GLS (1.00) GLS
SCHEMBL14987627 0.89 GLS (1.00) GLS
SCHEMBL21484186 0.86 GLS (0.81) GLS
SCHEMBL21486517 0.86 GLS (0.81) GLS
SCHEMBL19920345 0.85 GLS (0.87) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885
US-10441587-B2 Treatment of lung cancer with inhibitors of glutaminase KRAS, GLS, GLUL GLS 2/4885

“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.