SCHEMBL21201804

SCHEMBL21201804

CN([C@H]1CCN(C=O)C1)[SH](=O)=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.33

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
SCHEMBL1309093 0.83 L3MBTL3 (0.35) PYGL
SCHEMBL13955505 0.83 L3MBTL3 (0.35) PYGL
SCHEMBL404146 0.83 L3MBTL3 (0.35) PYGL
SCHEMBL21201850 0.80 ADH1C (0.47) PYGL
SCHEMBL18893512 0.77 PYGL (0.32) PYGL
SCHEMBL1307160 0.76 PYGL (0.40) PYGL
SCHEMBL1712741 0.76 PYGL (0.40) PYGL
SCHEMBL22830254 0.75 HTR2A (0.37)
SCHEMBL27788064 0.74 ADH1C (0.33) PYGL
SCHEMBL1308424 0.74 ADH1C (0.33) PYGL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263828-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-08-29 US disclosed
US-10364255-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-07-30 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 (2 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-20190263828-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, UGT2B7 PYGL 1897/4885
US-10364255-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, UGT2B7 PYGL 1897/4885

“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.