SCHEMBL16508045

SCHEMBL16508045

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.54
▸ IL23R Q5VWK5 4/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ GHSR Q92847 4/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ KISS1R Q969F8 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL30463258 0.88 SIRT5 (0.52) TFPIIL23RNPY2RKISS1R
SCHEMBL15185999 0.87 TFPI (0.52) TFPIIL23RRXFP1
SCHEMBL30855554 0.86 NPY4R (0.45) TFPIIL23RNPY2RKISS1R
SCHEMBL31238569 0.86 IL23R (0.51) TFPIIL23R
SCHEMBL30140921 0.86 TFPI (0.48) TFPIKEAP1
SCHEMBL16508141 0.85 TFPI (0.49) TFPIIL23RKEAP1NPY2RKISS1R
SCHEMBL16508109 0.85 TFPI (0.49) TFPIIL23RKEAP1NPY2RKISS1R
SCHEMBL30531635 0.85 NPY4R (0.56) KEAP1NPY2R
SCHEMBL30531632 0.85 NPY4R (0.56) KEAP1NPY2R
SCHEMBL30531636 0.85 SIRT5 (0.51) TFPIIL23RNPY2RKISS1R

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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 — — 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR TFPI 2646/4885IL23R 1779/4885KEAP1 3576/4885

“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