SCHEMBL24703694

SCHEMBL24703694

CCC(C)C(=O)[C@H](CCCNC(N)=O)NC(=O)C(NC(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FURIN P09958 5/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ REN P00797 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL21914903 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL21914949 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL17992599 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL24173258 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL20803561 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL22198634 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL22692383 0.90 C3AR1 (0.34) SMN1; SMN2FURINC3AR1SIRT5SIRT6
SCHEMBL21914973 0.90 SMN1; SMN2 (0.33) SMN1; SMN2FURINC3AR1RENSIRT6
SCHEMBL18818915 0.89 REN (0.34) SMN1; SMN2FURINC3AR1RENSIRT5
SCHEMBL24172987 0.88 FURIN (0.33) SMN1; SMN2FURINC3AR1RENSIRT5

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-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 — — 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-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 SMN1; SMN2 1771/4885FURIN 1137/4885C3AR1 584/4885

“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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