SCHEMBL21164377

SCHEMBL21164377

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.56
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ CMA1 P23946 4/20 0.52
▸ KDM1A O60341 1/20 0.49

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
SCHEMBL31186337 0.90 MAPK8 (0.64) RENMAPK8MAPK9MAPK10KDM1A
SCHEMBL21164378 0.89 REN (0.60) RENMAPK8MAPK9MAPK10KDM1A
SCHEMBL30439967 0.87 CMA1 (0.55) RENCMA1
SCHEMBL30616203 0.85 REN (0.60) RENMAPK8MAPK9MAPK10CMA1
SCHEMBL30440130 0.84 CMA1 (0.57) RENCMA1
SCHEMBL30440351 0.84 CMA1 (0.55) RENCMA1
SCHEMBL10061557 0.84 CMA1 (0.55) RENCMA1
SCHEMBL30051241 0.80 REN (0.55) RENMAPK8MAPK9MAPK10CMA1
SCHEMBL24372015 0.80 CMA1 (0.51) RENCMA1
SCHEMBL13323714 0.80 CMA1 (0.51) RENCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738085-B1 Antimicrobial analogues of Gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2020-08-11 — — US disclosed
US-10730913-B1 Antimicrobial analogues of gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2020-08-04 — — US disclosed
US-10351602-B1 Antimicrobial analogues of gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2019-07-16 — — 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 (3 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-10730913-B1 Antimicrobial analogues of gramicidin S GMPS, AAAS, GNPDA1 REN 1941/4885MAPK8 3924/4885MAPK9 3393/4885
US-10351602-B1 Antimicrobial analogues of gramicidin S GMPS, AAAS, GNPDA1 REN 1941/4885MAPK8 3924/4885MAPK9 3393/4885
US-10738085-B1 Antimicrobial analogues of Gramicidin S GMPS, AAAS, GNPDA1 REN 1941/4885MAPK8 3924/4885MAPK9 3393/4885

“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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