SCHEMBL21164400

SCHEMBL21164400

CCCC[C@H]1C(=O)N[C@@H](CCC(C)C)C(=O)N(N)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(=O)N(N)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.52
▸ HDAC4 P56524 2/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ ITGB5 P18084 1/20 0.45
▸ CIB1 Q99828 1/20 0.45
▸ ABCB1 P08183 1/20 0.43
▸ NNMT P40261 4/20 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
SCHEMBL22292160 0.97 OXTR (0.52) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL21164374 0.97 OXTR (0.51) OXTRHDAC4CIB1ABCB1NNMT
SCHEMBL22326376 0.95 HDAC4 (0.52) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL21164408 0.94 OXTR (0.52) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL22326368 0.94 OXTR (0.53) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL21164407 0.94 OXTR (0.55) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL22326375 0.92 OXTR (0.53) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL22326366 0.91 HDAC4 (0.54) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL22292162 0.91 HDAC4 (0.54) OXTRHDAC4ITGB3ITGB1ITGAV
SCHEMBL22292134 0.91 OXTR (0.56) OXTRHDAC4ITGB3ITGB1ITGAV

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-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 (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-10351602-B1 Antimicrobial analogues of gramicidin S GMPS, AAAS, GNPDA1 OXTR 3605/4885HDAC4 2862/4885ITGB3 3078/4885

“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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