SCHEMBL20609502

SCHEMBL20609502

C[N+](C)(C)C(Cc1c[nH]cn1)C(=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALPL P05186 1/20 0.49
ALPG P10696 1/20 0.49
SLC22A4 Q9H015 1/20 0.48
GAA P10253 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
SCHEMBL1331030 1.00 POLB (0.49) POLBALPLALPGSLC22A4GAA
SCHEMBL2926302 0.86 POLB (0.36) POLBALPLALPGSLC22A4GAA
SCHEMBL19421166 0.86 POLB (0.36) POLBALPLALPGSLC22A4GAA
SCHEMBL19421167 0.78
Histidine SCHEMBL8161511 0.76 CYP3A4 (0.33)
Histidine SCHEMBL3739430 0.74 CYP3A4 (0.32)
Histidine SCHEMBL11881302 0.74 CYP3A4 (0.32)
Histidine SCHEMBL8161515 0.74 CYP3A4 (0.32)
Histidine SCHEMBL17473905 0.74 CYP3A4 (0.32)
Histidine SCHEMBL951652 0.74 CYP3A4 (0.32)

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-10167490-B2 Ergothioneine production through metabolic engineering ERGO HEALTH LLC (US) 2019-01-01 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-10167490-B2 Ergothioneine production through metabolic engineering HNMT, SHMT1, TST POLB 3901/4885ALPL 3279/4885ALPG 2102/4885

“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.