SCHEMBL26935056

SCHEMBL26935056

CC(C)C1NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)O)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGB1 P05556 1/20 0.61
ITGAV P06756 1/20 0.61
ITGA5 P08648 1/20 0.61
ITGB5 P18084 1/20 0.61
HDAC4 P56524 6/20 0.59
PCSK9 Q8NBP7 1/20 0.57
KEAP1 Q14145 2/20 0.56
NFE2L2 Q16236 1/20 0.56
KLKB1 P03952 3/20 0.55
KRAS P01116 1/20 0.53
KLK5 Q9Y337 1/20 0.52
HDAC1 Q13547 4/20 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

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
SCHEMBL26935045 0.93 KRAS (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26935074 0.91 KLK5 (0.56) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26935034 0.91 ITGB3 (0.63) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666543 0.89 PIN1 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666555 0.88 HDAC4 (0.57) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL29666550 0.87 HDAC4 (0.62) HDAC4KLKB1KRASHDAC1HDAC3
SCHEMBL29666795 0.86 KRAS (0.56) HDAC4PCSK9KLKB1KRASHDAC1
SCHEMBL26935065 0.85 HDAC3 (0.60) HDAC4PCSK9KLKB1KLK5HDAC1
SCHEMBL1371652 0.84 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26935070 0.84 HDAC3 (0.58) HDAC4PCSK9KLKB1KLK5HDAC1

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-20230399362-A1 INTERLEUKIN-13 BINDING CYCLIC OLIGOPEPTIDES AND METHODS OF USE THEREOF B.A.I. LABORATORIES, LLC 2023-12-14 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-20230399362-A1 INTERLEUKIN-13 BINDING CYCLIC OLIGOPEPTIDES AND METHODS OF USE THEREOF CXCL10, IL23R, CCL11 ITGB3 727/4885ITGB1 1401/4885ITGAV 765/4885

“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.