SCHEMBL30456482

SCHEMBL30456482

COC(=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.39
CHAT P28329 2/20 0.36
EP300 Q09472 3/20 0.34
AURKA O14965 2/20 0.34
KAT5 Q92993 2/20 0.34
KAT2B Q92831 1/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
NAA40 Q86UY6 1/20 0.33
CREBBP Q92793 1/20 0.33
ENPP2 Q13822 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL30455992 0.93 NAA50 (0.38) NAA50CHATEP300AURKAKAT5
SCHEMBL21996171 0.91 NAA50 (0.40) NAA50CHATEP300AURKAKAT5
SCHEMBL23752163 0.88 LPAR1 (0.43) NAA50CHATENPP2LPAR1LPAR2
SCHEMBL23752166 0.88 LPAR1 (0.43) NAA50CHATENPP2LPAR1LPAR2
SCHEMBL30456357 0.86 NAA50 (0.42) NAA50CHATEP300AURKAKAT5
SCHEMBL16693253 0.86 NAA50 (0.48) NAA50CHATEP300AURKAKAT5
SCHEMBL21996236 0.85 PTGS1 (0.49) PTGS1KCNH2
SCHEMBL21996234 0.85 PTGS1 (0.49) PTGS1KCNH2
SCHEMBL11888083 0.85 CHAT (0.43) NAA50CHATEP300AURKAKAT5
SCHEMBL21996188 0.84 NAA50 (0.42) NAA50CHATEP300AURKAKAT5

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-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-04-06 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-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, NQO1, VKORC1 NAA50 1148/4885CHAT 3110/4885EP300 1472/4885

“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.