SCHEMBL29666726

SCHEMBL29666726

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 6/20 0.56
▸ ITGB3 P05106 5/20 0.56
▸ ITGA5 P08648 5/20 0.56
▸ ITGB1 P05556 3/20 0.56
▸ ITGB5 P18084 3/20 0.56
▸ KRAS P01116 1/20 0.53
▸ ERBB2 P04626 1/20 0.53
▸ HDAC4 P56524 4/20 0.52
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ ITGB8 P26012 2/20 0.51
▸ PIN1 Q13526 1/20 0.50

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
SCHEMBL29666836 0.95 HDAC4 (0.57) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666771 0.93 ERBB2 (0.57) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL30037692 0.92 ITGAV (0.60) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666536 0.92 HDAC4 (0.54) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666863 0.91 HDAC4 (0.56) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666795 0.91 KRAS (0.56) KRASERBB2HDAC4HDAC1HDAC3
SCHEMBL29666774 0.91 HDAC4 (0.60) KRASERBB2HDAC4HDAC1HDAC3
SCHEMBL29666804 0.91 HDAC4 (0.60) KRASERBB2HDAC4HDAC1HDAC3
SCHEMBL29666794 0.91 HDAC4 (0.60) KRASERBB2HDAC4HDAC1HDAC3
SCHEMBL29666732 0.91 HDAC4 (0.60) KRASERBB2HDAC4HDAC1HDAC3

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-11332499-B2 Cyclic peptides and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-05-17 — — 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-11332499-B2 Cyclic peptides and methods of use thereof ANPEP, NPR3, XPNPEP1 ITGAV 3880/4885ITGB3 3724/4885ITGA5 3309/4885

“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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