SCHEMBL11926048

SCHEMBL11926048

COC(=O)C(Cc1ccc(C#N)cc1)NC(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CTSG P08311 6/20 0.51
▸ CMA1 P23946 5/20 0.51
▸ NLRP3 Q96P20 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL11907538 0.92 GAA (0.55) GAARAB9ALNPEPL3MBTL1TAS1R3
SCHEMBL11925979 0.90 GAA (0.60) GAARAB9ACTSGCMA1NLRP3
SCHEMBL11926970 0.89 CTSL (0.45) GAARAB9ACTSGCMA1NLRP3
SCHEMBL11921833 0.87 GAA (0.52) GAARAB9ACTSGCMA1LNPEP
SCHEMBL22036088 0.87 LNPEP (0.55) GAARAB9ALNPEPL3MBTL1TAS1R3
SCHEMBL15037028 0.83 EPHX2 (0.59) GAARAB9ACTSGCMA1NLRP3
SCHEMBL15091769 0.83 EPHX2 (0.59) GAARAB9ACTSGCMA1NLRP3
SCHEMBL11906254 0.81 GAA (0.47) GAARAB9ALNPEP
SCHEMBL11921829 0.79 CTSL (0.45) GAARAB9ALNPEP
SCHEMBL12471343 0.79 PTPN1 (0.61) MEN1KMT2A

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-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC. (US) 2012-08-16 — — 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-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM SLC7A1, SLC3A2, BCAT2 GAA 2297/4885RAB9A 3509/4885CTSG 3227/4885

“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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