SCHEMBL16508552

SCHEMBL16508552

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ IL23R Q5VWK5 1/20 0.41
▸ KISS1R Q969F8 3/20 0.38
▸ TFPI P10646 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ GLP1R P43220 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ GIPR P48546 1/20 0.36
▸ RAMP3 O60896 1/20 0.36
▸ CALCR P30988 1/20 0.36

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
SCHEMBL16508540 0.89 SIRT5 (0.46) SIRT2SIRT5IL23RKISS1RTFPI
SCHEMBL29613330 0.88 NOD1 (0.45) NPY1RNPY2RNPY4RNPY5RRAMP3
SCHEMBL30974577 0.85 SIRT2 (0.43) SIRT2SIRT5IL23RRAMP3CALCR
SCHEMBL31593286 0.84 IL23R (0.46) IL23RTFPI
SCHEMBL16508436 0.84 SIRT5 (0.44) SIRT2SIRT5IL23RKISS1RTFPI
SCHEMBL16508548 0.84 SIRT5 (0.44) SIRT2SIRT5IL23RKISS1RTFPI
SCHEMBL30577044 0.84 NMT2 (0.41) SIRT2SIRT5IL23RNPY1RNPY2R
SCHEMBL30855554 0.84 NPY4R (0.45) IL23RKISS1RTFPINPY1RNPY2R
SCHEMBL16508498 0.83 SIRT5 (0.45) SIRT2SIRT5IL23RKISS1RTFPI
SCHEMBL15305538 0.83 IL23R (0.43) SIRT2SIRT5IL23RKISS1RNPY1R

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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 SIRT2 2655/4885SIRT5 605/4885IL23R 248/4885

“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