SCHEMBL17722508

SCHEMBL17722508

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(C)=O)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 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.62
▸ F2 P00734 4/20 0.60
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ NMUR2 Q9GZQ4 5/20 0.58
▸ NMUR1 Q9HB89 5/20 0.58
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ EPHA2 P29317 1/20 0.56

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 0.95 TFPI (0.63) TFPINMUR2NMUR1EPHA2
SCHEMBL17722498 0.95 TFPI (0.63) TFPINMUR2NMUR1NPY1RNPY2R
SCHEMBL17722506 0.95 TFPI (0.63) TFPINMUR2NMUR1EPHA2
SCHEMBL17722507 0.93 TFPI (0.65) TFPINMUR2NMUR1EPHA2
SCHEMBL17722486 0.93 TFPI (0.66) TFPINMUR2NMUR1NPY1RNPY2R
SCHEMBL17722505 0.93 TFPI (0.62) TFPINMUR2NMUR1EPHA2
SCHEMBL17722509 0.93 TFPI (0.60) TFPINMUR2NMUR1EPHA2
SCHEMBL17722482 0.93 TFPI (0.68) TFPINMUR2NMUR1
SCHEMBL17722477 0.90 TFPI (0.63) TFPINMUR2NMUR1NPY1RNPY2R
SCHEMBL17722480 0.90 F2 (0.64) TFPIF2NMUR2NMUR1

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 3159/4885F2 598/4885MAPK8 3728/4885

“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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