SCHEMBL29666877

SCHEMBL29666877

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
KLKB1 P03952 4/20 0.55
ERBB2 P04626 1/20 0.55
PIN1 Q13526 6/20 0.53
PLAU P00749 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGB5 P18084 1/20 0.51

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
SCHEMBL29666784 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666599 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666732 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666804 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666774 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666752 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666794 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666785 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666717 0.96 HDAC4 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL29666587 0.95 HDAC4 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2

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 HDAC4 3696/4885HDAC3 2719/4885HDAC1 3258/4885

“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.