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SCHEMBL20375015

SCHEMBL20375015

CC[C@@H](C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(C)=O)CSCc2ccccc2CSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(=O)O)NC1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 6/20 0.63
▸ ACE2 Q9BYF1 2/20 0.59
▸ KLKB1 P03952 7/20 0.58
▸ ACE P12821 1/20 0.57
▸ F12 P00748 2/20 0.56
▸ TSLP Q969D9 2/20 0.55
▸ KLK5 Q9Y337 1/20 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
SCHEMBL20375014 0.93 EPHA2 (0.61) EPHA2ACE2KLKB1ACEF12
SCHEMBL18375815 0.93 EPHA2 (0.58) EPHA2ACE2KLKB1ACEF12
SCHEMBL18375845 0.93 EPHA2 (0.58) EPHA2ACE2KLKB1ACEF12
SCHEMBL20375008 0.92 EPHA2 (0.58) EPHA2ACE2KLKB1ACEF12
SCHEMBL18375843 0.90 EPHA2 (0.55) EPHA2ACE2KLKB1ACEF12
SCHEMBL20374834 0.88 KLKB1 (0.53) EPHA2ACE2KLKB1ACEF12
SCHEMBL20374825 0.88 EPHA2 (0.56) EPHA2ACE2KLKB1ACEF12
SCHEMBL18375846 0.88 EPHA2 (0.53) EPHA2ACE2KLKB1ACEF12
SCHEMBL18375806 0.87 KLKB1 (0.53) EPHA2ACE2KLKB1ACEF12
SCHEMBL20374824 0.86 EPHA2 (0.52) EPHA2ACE2KLKB1ACEF12

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-20180193409-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF POLYMERS CRC LIMITED (AU) 2018-07-12 — — 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-20180193409-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF SCTR, QRFPR, NPY1R EPHA2 1614/4885ACE2 2520/4885KLKB1 1199/4885

“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.