SCHEMBL22188680

SCHEMBL22188680

CCOP(=O)(CC(=O)NCCCCC(NC(=O)O)C(=O)N[C@H](CO)Cc1cccc(C)c1)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.40
CTSB P07858 6/20 0.40
SIRT1 Q96EB6 6/20 0.40
PIN1 Q13526 2/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
FPR2 P25090 1/20 0.36
CTSL P07711 3/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 2/20 0.35
TGM2 P21980 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CTSV O60911 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35

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
SCHEMBL22188681 1.00 SIRT2 (0.40) SIRT2CTSBSIRT1PIN1CYP3A4
SCHEMBL20608666 0.93 SIRT2 (0.40) SIRT2CTSBSIRT1CTSLCTSS
SCHEMBL20608668 0.93 SIRT2 (0.40) SIRT2CTSBSIRT1CTSLCTSS
SCHEMBL20608731 0.92 SIRT2 (0.45) SIRT2SIRT1CYP3A4MAPK1FPR2
SCHEMBL20608734 0.92 SIRT2 (0.45) SIRT2SIRT1CYP3A4MAPK1FPR2
SCHEMBL20608682 0.92 SIRT2 (0.39) SIRT2SIRT1PIN1CYP3A4MAPK1
SCHEMBL20608683 0.92 SIRT2 (0.39) SIRT2SIRT1PIN1CYP3A4MAPK1
SCHEMBL18236045 0.92 SIRT2 (0.53) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL20608708 0.90 SIRT2 (0.39) SIRT2SIRT1CYP3A4MAPK1FPR2
SCHEMBL20608709 0.90 SIRT2 (0.39) SIRT2SIRT1CYP3A4MAPK1FPR2

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-20200216401-A1 NOVEL SYRINGOLIN ANALOGUES AND METHODS OF MAKING AND USING SAME UNIV BROWN (US) 2020-07-09 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-20200216401-A1 NOVEL SYRINGOLIN ANALOGUES AND METHODS OF MAKING AND USING SAME XIAP, PSMG3, SYVN1 SIRT2 1713/4885CTSB 1030/4885SIRT1 1878/4885

“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.