SCHEMBL17085547

SCHEMBL17085547

O=C(Nc1nnc(CCCc2nnc(NC(=O)C3COc4ccccc43)s2)s1)C1COc2ccccc21

nearest known ligand 0.95

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 16/20 0.95
▸ MAPT P10636 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 1/20 0.51

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
SCHEMBL14986997 0.98 GLS (1.00) GLSMAPTALDH1A1NPC1RAB9A
SCHEMBL14987142 0.90 GLS (1.00) GLSMAPTALDH1A1LMNA
SCHEMBL18121472 0.87 GLS (0.80) GLSMAPTALDH1A1NPC1RAB9A
SCHEMBL14987419 0.79 GLS (1.00) GLSMAPTALDH1A1NPC1RAB9A
SCHEMBL21368901 0.79 GLS (0.77) GLSMAPTALDH1A1
SCHEMBL14987271 0.77 GLS (1.00) GLSMAPTALDH1A1
SCHEMBL14987003 0.75 GLS (1.00) GLSMAPTALDH1A1NPC1RAB9A
SCHEMBL14987270 0.74 GLS (1.00) GLSMAPT
SCHEMBL19550411 0.72 GLS (0.55) GLSALDH1A1
SCHEMBL19550961 0.72 GLS (0.55) GLSALDH1A1

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-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2015-09-17 — — 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-20150258082-A1 COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS GLS, GLUL, GLS2 GLS 1/4885MAPT 4563/4885ALDH1A1 704/4885

“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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