SCHEMBL22326366

SCHEMBL22326366

CC(C)CC1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(N)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)N(N)C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 6/20 0.54
▸ OXTR P30559 1/20 0.53
▸ ITGB3 P05106 1/20 0.49
▸ ITGB1 P05556 1/20 0.49
▸ ITGAV P06756 1/20 0.49
▸ ITGA5 P08648 1/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ PDCD1 Q15116 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.47
▸ ABCB1 P08183 1/20 0.47

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
SCHEMBL22292162 1.00 HDAC4 (0.54) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL21164408 0.97 OXTR (0.52) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL22326367 0.97 OXTR (0.53) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL22326368 0.97 OXTR (0.53) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL22326376 0.97 HDAC4 (0.52) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL22326373 0.96 HDAC4 (0.57) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL21164405 0.94 OXTR (0.54) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL22292134 0.94 OXTR (0.56) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL22326371 0.94 OXTR (0.53) HDAC4OXTRITGB3ITGB1ITGAV
SCHEMBL21164373 0.94 OXTR (0.53) HDAC4OXTRITGB3ITGB1ITGAV

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-10738085-B1 Antimicrobial analogues of Gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2020-08-11 — — 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-10738085-B1 Antimicrobial analogues of Gramicidin S GMPS, AAAS, GNPDA1 HDAC4 2862/4885OXTR 3605/4885ITGB3 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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