SCHEMBL19920328

SCHEMBL19920328

CC(C)CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)s2)s1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 16/20 0.75
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14987547 1.00 GLS (0.75) GLSLMNAMAPTGAAHTT
SCHEMBL16305174 0.93 GLS (0.80) GLSLMNAMAPT
SCHEMBL15042339 0.93 GLS (0.80) GLSLMNAMAPT
SCHEMBL18137256 0.91 GLS (0.63) GLSLMNAMAPTGAAHTT
SCHEMBL21369057 0.88 GLS (0.71) GLSLMNAMAPT
SCHEMBL17087141 0.86 GLS (0.74) GLS
SCHEMBL14987541 0.86 GLS (1.00) GLS
SCHEMBL16305175 0.84 GLS (0.65) GLSLMNAMAPTGAAHTT
SCHEMBL14987621 0.84 GLS (0.65) GLSLMNAMAPTGAAHTT
SCHEMBL15042275 0.83 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-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE LIANG YU (US) 2018-03-01 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-20180055825-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885LMNA 4498/4885MAPT 3759/4885

“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.