SCHEMBL23105946

SCHEMBL23105946

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.33
▸ SIRT5 Q9NXA8 2/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ REN P00797 1/20 0.30
▸ SIRT6 Q8N6T7 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ CTDSP1 Q9GZU7 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
SCHEMBL21503810 1.00 C3AR1 (0.33) C3AR1SIRT5SIRT2EPHX1REN
SCHEMBL21914903 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL21914949 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL17992599 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL24173258 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL22198634 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL20803561 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL22692383 0.91 C3AR1 (0.34) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL23106118 0.90 NPY4R (0.38) SIRT5SIRT2
SCHEMBL21503838 0.90 SIRT5 (0.35) C3AR1SIRT5SIRT2EPHX1SIRT6

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-20210079039-A1 COMPOSITIONS AND METHODS FOR THE SELECTIVE DELIVERY OF THERAPEUTIC AND IMAGING AGENTS AVELAS ACQUISITION CORPORATION 2021-03-18 — — 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-20210079039-A1 COMPOSITIONS AND METHODS FOR THE SELECTIVE DELIVERY OF THERAPEUTIC AND IMAGING AGENTS PAICS, ANXA3, APOB C3AR1 452/4885SIRT5 3145/4885SIRT2 3544/4885

“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