SCHEMBL17722482

SCHEMBL17722482

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](CCCCN)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 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 7/20 0.68
▸ CXCR4 P61073 2/20 0.64
▸ OPRM1 P35372 6/20 0.62
▸ OPRK1 P41145 6/20 0.62
▸ NMUR2 Q9GZQ4 2/20 0.60
▸ NMUR1 Q9HB89 2/20 0.60
▸ KDM1A O60341 1/20 0.60

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
SCHEMBL17722506 0.97 TFPI (0.63) TFPICXCR4OPRM1OPRK1NMUR2
SCHEMBL17722489 0.97 TFPI (0.63) TFPICXCR4OPRM1OPRK1NMUR2
SCHEMBL17722486 0.96 TFPI (0.66) TFPICXCR4NMUR2NMUR1
SCHEMBL17722498 0.96 TFPI (0.63) TFPICXCR4OPRM1OPRK1NMUR2
SCHEMBL17722507 0.95 TFPI (0.65) TFPICXCR4OPRM1OPRK1NMUR2
SCHEMBL17722505 0.95 TFPI (0.62) TFPICXCR4OPRM1OPRK1NMUR2
SCHEMBL17722509 0.94 TFPI (0.60) TFPICXCR4NMUR2NMUR1
SCHEMBL30788356 0.93 TFPI (0.61) TFPICXCR4OPRM1OPRK1NMUR2
SCHEMBL17722508 0.93 TFPI (0.62) TFPINMUR2NMUR1
SCHEMBL17722477 0.92 TFPI (0.63) TFPINMUR2NMUR1

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 3159/4885CXCR4 2876/4885OPRM1 1164/4885

“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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