SCHEMBL29666771

SCHEMBL29666771

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.57
▸ HDAC4 P56524 5/20 0.55
▸ HDAC1 Q13547 4/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ HDAC3 O15379 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55
▸ HDAC5 Q9UQL6 2/20 0.55
▸ KRAS P01116 1/20 0.54
▸ ITGB3 P05106 3/20 0.53
▸ ITGAV P06756 3/20 0.53
▸ ITGA5 P08648 3/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGB5 P18084 1/20 0.53
▸ KLKB1 P03952 4/20 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
SCHEMBL29666836 0.98 HDAC4 (0.57) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666795 0.95 KRAS (0.56) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666536 0.95 HDAC4 (0.54) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666877 0.94 HDAC4 (0.56) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666863 0.94 HDAC4 (0.56) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666599 0.93 HDAC4 (0.60) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666804 0.93 HDAC4 (0.60) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666717 0.93 HDAC4 (0.60) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666752 0.93 HDAC4 (0.60) ERBB2HDAC4HDAC1HDAC6HDAC3
SCHEMBL29666794 0.93 HDAC4 (0.60) ERBB2HDAC4HDAC1HDAC6HDAC3

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 ERBB2 3390/4885HDAC4 3696/4885HDAC1 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.

Send feedback