Pexiganan

Pexiganan

SCHEMBL3486378

CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)C(C)C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 6/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
PRMT1 Q99873 1/20 0.48
NTMT1 Q9BV86 6/20 0.44
HASPIN Q8TF76 1/20 0.44
PRMT5 O14744 1/20 0.43
CARM1 Q86X55 1/20 0.43
NAA40 Q86UY6 2/20 0.43
ROCK2 O75116 2/20 0.42
AKT3 Q9Y243 2/20 0.42

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
Pexiganan SCHEMBL15247673 0.80 PSEN1 (0.58)
Pexiganan SCHEMBL476400 0.80 PSEN1 (0.58)
Pexiganan SCHEMBL17513878 0.80 PSEN1 (0.58)
SCHEMBL29405313 0.80 PSEN1 (0.58)
Acetic Acid SCHEMBL29396321 0.79 PSEN1 (0.58)
Pexiganan SCHEMBL487091 0.79 PSEN1 (0.58)
SCHEMBL29458126 0.73 GLP1R (0.58)
SCHEMBL29716608 0.73 GLP1R (0.58)
SCHEMBL29420210 0.73 TFPI (0.53)
SCHEMBL30567725 0.72 BACE1 (0.55)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031523-A1 Selective Poly-N-Substituted Glycine Antibiotics BARRON ANNELISE E (US) 2014-01-30 US disclosed
US-8445632-B2 Selective poly-N-substituted glycine antibiotics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-21 US disclosed
US-20120295838-A1 Selective poly-substituted glycine antibiotics and related compositions BARRON ANNELISE E (US) 2012-11-22 US disclosed
EP-2252576-A2 SELECTIVE POLY-N-SUBSTITUTED GLYCINE ANTIBIOTICS Northwestern University (US) 2010-11-24 EP disclosed
US-20100036088-A1 Selective poly-N-substituted glycine antibiotics CHONGSIRIWATANA, NATHANIEL P. 2010-02-11 US disclosed
WO-2009105167-A2 SELECTIVE POLY-N-SUBSTITUTED GLYCINE ANTIBIOTICS NORTHWESTERN UNIVERSITY (US) 2009-08-27 WO 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 (2 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-20100036088-A1 Selective poly-N-substituted glycine antibiotics PARG, PAM, NGLY1 PRKACA 4730/4885PRKACG 4492/4885PRKACB 4613/4885
US-20140031523-A1 Selective Poly-N-Substituted Glycine Antibiotics PARG, PAM, NGLY1 PRKACA 4730/4885PRKACG 4492/4885PRKACB 4613/4885

“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.