SCHEMBL16508540

SCHEMBL16508540

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ IL23R Q5VWK5 3/20 0.42
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ KISS1R Q969F8 3/20 0.40
▸ OPRL1 P41146 3/20 0.40
▸ TFPI P10646 1/20 0.39

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
SCHEMBL16508498 0.95 SIRT5 (0.45) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL16508502 0.92 SIRT5 (0.46) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL16508467 0.90 SIRT5 (0.44) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL16508436 0.90 SIRT5 (0.44) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL16508548 0.90 SIRT5 (0.44) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL16508552 0.89 SIRT2 (0.41) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL30531636 0.88 SIRT5 (0.51) SIRT5SIRT2IL23RNPY1RNPY2R
SCHEMBL16508439 0.86 KISS1R (0.55) NPY1RNPY2RNPY4RNPY5RKISS1R
SCHEMBL16508481 0.85 TLR2 (0.52) IL23RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30974577 0.85 SIRT2 (0.43) SIRT5SIRT2IL23R

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 SIRT5 605/4885SIRT2 2655/4885IL23R 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.

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