SCHEMBL23322935

SCHEMBL23322935

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F12 P00748 13/20 0.58
PCSK9 Q8NBP7 1/20 0.54
KLKB1 P03952 4/20 0.54
HDAC4 P56524 1/20 0.53
KRAS P01116 1/20 0.53
PLAU P00749 1/20 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
SCHEMBL29666765 0.84 HDAC4 (0.58) F12KLKB1HDAC4KRASPLAU
SCHEMBL30787065 0.82 HDAC3 (0.56) F12PCSK9KLKB1HDAC4
SCHEMBL29666545 0.82 HDAC4 (0.58) KLKB1HDAC4PLAU
SCHEMBL26935034 0.80 ITGB3 (0.63) F12PCSK9HDAC4KRAS
SCHEMBL29526928 0.79 SLC6A3 (0.56) F12PCSK9KLKB1HDAC4
SCHEMBL29666853 0.79 KLKB1 (0.57) F12KLKB1HDAC4PLAU
SCHEMBL29666836 0.79 HDAC4 (0.57) HDAC4KRAS
SCHEMBL29666795 0.78 KRAS (0.56) PCSK9KLKB1HDAC4KRAS
SCHEMBL29666550 0.78 HDAC4 (0.62) KLKB1HDAC4KRAS
SCHEMBL26935056 0.78 ITGB3 (0.61) PCSK9KLKB1HDAC4KRAS

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-20210130415-A1 CHEMICALLY-MODIFIED ADENO-ASSOCIATED VIRUS Université de Nantes (FR) 2021-05-06 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-20210130415-A1 CHEMICALLY-MODIFIED ADENO-ASSOCIATED VIRUS ALDH1A1, ALDH1A2, GAPDH F12 857/4885PCSK9 3322/4885KLKB1 4188/4885

“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.