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
SCHEMBL29405313 0.80 PSEN1 (0.58) —
Pexiganan SCHEMBL476400 0.80 PSEN1 (0.58) —
Pexiganan SCHEMBL17513878 0.80 PSEN1 (0.58) —
Pexiganan SCHEMBL15247673 0.80 PSEN1 (0.58) —
Pexiganan SCHEMBL487091 0.79 PSEN1 (0.58) —
Acetic Acid SCHEMBL29396321 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.

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