SCHEMBL24543149

SCHEMBL24543149

CN[C@@H](CO)C(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HDAC2 Q92769 1/20 0.31
▸ TGFBR1 P36897 2/20 0.31
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL24542838 0.79 MMP3 (0.33) POLBPTGS1KCNH2
SCHEMBL24729188 0.79 MAPT (0.40) HDAC2
SCHEMBL13428229 0.78 HDAC2 (0.32) POLBHDAC2
SCHEMBL24096004 0.78 ECE1 (0.38) POLBHDAC2
SCHEMBL19993047 0.77 — —
SCHEMBL15765660 0.77 — —
SCHEMBL24543232 0.75 CTSS (0.36) —
SCHEMBL19057922 0.75 — —
SCHEMBL16387377 0.75 OR51E2 (0.42) POLBPTGS1KCNH2HDAC2EPHX1
SCHEMBL24542837 0.74 ECE1 (0.35) PTGS1KCNH2

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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 — — 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 SPHK1 71/4885POLB 3687/4885PTGS1 2512/4885

“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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