SCHEMBL18376339

SCHEMBL18376339

CC[C@@H](C)C(N)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.57
▸ GAA P10253 1/20 0.57
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ AKR1B1 P15121 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
SCHEMBL18376980 0.87 PYGB (0.57) PYGBGAACA12CA1CA2
SCHEMBL18376977 0.86 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL14342166 0.85 PYGB (0.61) PYGBGAACA12CA1CA2
SCHEMBL18376253 0.84 PYGB (0.60) PYGBGAACA12CA1CA2
SCHEMBL25496536 0.83 PYGB (0.63) PYGBGAACA12CA1CA2
SCHEMBL12430289 0.81 PYGB (0.64) PYGBGAACA12CA1CA2
SCHEMBL14342150 0.81 PYGB (0.61) PYGBGAACA12CA1CA2
SCHEMBL18376575 0.80 PYGB (0.55) PYGBGAACA12CA1CA2
SCHEMBL18376576 0.79 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL5022897 0.77 PYGB (0.57) PYGBGAACA12CA1CA2

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-20170007709-A1 GLYCOAMINO ACID AND USE THEREOF AJINOMOTO CO., INC. (JP) 2017-01-12 — — 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-20170007709-A1 GLYCOAMINO ACID AND USE THEREOF SLC6A15, NGLY1, SLC7A1 PYGB 543/4885GAA 177/4885CA12 473/4885

“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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