SCHEMBL21152967

SCHEMBL21152967

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.36
KISS1R Q969F8 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ALB P02768 1/20 0.32
FOLH1 Q04609 2/20 0.32
EPHX1 P07099 1/20 0.32
PAOX Q6QHF9 2/20 0.32
DPP7 Q9UHL4 1/20 0.31
SHMT1 P34896 1/20 0.31
MEN1 O00255 1/20 0.30
KLK7 P49862 1/20 0.30
KMT2A Q03164 1/20 0.30
ADAM10 O14672 1/20 0.30
MMP2 P08253 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
SCHEMBL24420994 1.00 C3AR1 (0.36) C3AR1KISS1RSIRT5SIRT6SIRT1
SCHEMBL22215553 0.88 C3AR1 (0.36) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL23872238 0.88 C3AR1 (0.36) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL12837508 0.87 NPY4R (0.39) KISS1RSIRT5MEN1KMT2A
SCHEMBL22800728 0.83 SIRT6 (0.35) C3AR1SIRT5SIRT6SIRT1KDM4E
SCHEMBL24703697 0.83 C3AR1 (0.35) C3AR1SIRT6SIRT1CTDSP1EPHX1
SCHEMBL24703640 0.83 C3AR1 (0.35) C3AR1SIRT6SIRT1CTDSP1EPHX1
SCHEMBL22139609 0.82 SIRT5 (0.36) C3AR1KISS1RSIRT5SIRT6SIRT1
SCHEMBL24349699 0.82 SIRT5 (0.36) C3AR1KISS1RSIRT5SIRT6SIRT1
SCHEMBL24421126 0.82 C3AR1 (0.34) C3AR1KISS1RSIRT5SIRT6SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF PURETECH LYT, INC. (US) 2022-05-12 US disclosed
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2022-04-28 US disclosed
US-20220001015-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2022-01-06 US disclosed
US-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 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 (5 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-20220001015-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS LIPA, MALT1, SGMS1 C3AR1 606/4885KISS1R 2511/4885SIRT5 2142/4885
US-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 C3AR1 419/4885KISS1R 3134/4885SIRT5 4615/4885
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 C3AR1 1798/4885KISS1R 2302/4885SIRT5 2986/4885
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA C3AR1 575/4885KISS1R 3572/4885SIRT5 2024/4885
US-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS LIPA, MALT1, SGMS1 C3AR1 606/4885KISS1R 2511/4885SIRT5 2142/4885

“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.