SCHEMBL22800674

SCHEMBL22800674

CCN[C@@H](CCCCNC(N)=O)C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ FOLH1 Q04609 7/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ EPHX1 P07099 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ C3AR1 Q16581 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
SCHEMBL24172604 0.95 C3AR1 (0.35) SIRT6SIRT1FOLH1DPP7EPHX1
SCHEMBL23872313 0.95 C3AR1 (0.35) SIRT6SIRT1FOLH1DPP7EPHX1
SCHEMBL20104622 0.83 NPY4R (0.35) SIRT6SIRT1DPP7SMN1; SMN2MEN1
SCHEMBL22800728 0.83 SIRT6 (0.35) SIRT6SIRT1FOLH1DPP7GNAI3
SCHEMBL22799575 0.82 CYP2C19 (0.39) SIRT6SIRT1FOLH1MEN1KMT2A
SCHEMBL24678191 0.82 KDM4E (0.34) SIRT6SIRT1FOLH1EPHX1
SCHEMBL24704076 0.82 KISS1R (0.38) SIRT6SIRT1FOLH1EPHX1
SCHEMBL24703969 0.82 KDM4E (0.34) SIRT6SIRT1FOLH1EPHX1
SCHEMBL24015397 0.81 FURIN (0.36) SIRT6SIRT1DPP7SMN1; SMN2KMT2A
SCHEMBL19101872 0.81 FURIN (0.36) SIRT6SIRT1DPP7SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 — — US disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 — — US disclosed
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2020-12-17 — — 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 (3 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 SIRT6 2225/4885SIRT1 1981/4885FOLH1 356/4885
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA SIRT6 1811/4885SIRT1 3322/4885FOLH1 440/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 SIRT6 2225/4885SIRT1 1981/4885FOLH1 356/4885

“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.

Send feedback