SCHEMBL17722498

SCHEMBL17722498

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 6/20 0.63
▸ NMUR2 Q9GZQ4 5/20 0.60
▸ NMUR1 Q9HB89 5/20 0.60
▸ CXCR4 P61073 2/20 0.58
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ EPHA2 P29317 2/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ NPY5R Q15761 1/20 0.56
▸ OPRM1 P35372 2/20 0.55
▸ OPRK1 P41145 2/20 0.55

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
SCHEMBL17722489 0.98 TFPI (0.63) TFPINMUR2NMUR1CXCR4RAMP3
SCHEMBL17722506 0.98 TFPI (0.63) TFPINMUR2NMUR1CXCR4RAMP3
SCHEMBL17722486 0.97 TFPI (0.66) TFPINMUR2NMUR1CXCR4RAMP3
SCHEMBL17722507 0.97 TFPI (0.65) TFPINMUR2NMUR1CXCR4EPHA2
SCHEMBL17722505 0.96 TFPI (0.62) TFPINMUR2NMUR1CXCR4RAMP3
SCHEMBL17722509 0.96 TFPI (0.60) TFPINMUR2NMUR1CXCR4RAMP3
SCHEMBL17722482 0.96 TFPI (0.68) TFPINMUR2NMUR1CXCR4OPRM1
SCHEMBL17722508 0.95 TFPI (0.62) TFPINMUR2NMUR1EPHA2NPY1R
SCHEMBL17722477 0.93 TFPI (0.63) TFPINMUR2NMUR1RAMP3CALCR
SCHEMBL17722480 0.93 F2 (0.64) TFPINMUR2NMUR1CXCR4RAMP3

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-20160122383-A1 Peptide Ligation THE UNIVERSITY OF SYDNEY (AU) 2016-05-05 — — 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-20160122383-A1 Peptide Ligation PTMS, PTMA, QPCTL TFPI 3159/4885NMUR2 3964/4885NMUR1 3755/4885

“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