SCHEMBL13973839

SCHEMBL13973839

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(O)c(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)Nc2ccc(O)c(C(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.54
▸ KLK5 Q9Y337 2/20 0.54
▸ SIRT2 Q8IXJ6 11/20 0.53
▸ SIRT1 Q96EB6 10/20 0.53
▸ SIRT5 Q9NXA8 5/20 0.53
▸ MAPT P10636 1/20 0.51
▸ SIRT3 Q9NTG7 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
SCHEMBL12518250 0.97 KLK7 (0.56) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12518233 0.89 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL21371590 0.89 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12514745 0.87 KLK7 (0.55) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL19219892 0.87 KLK7 (0.54) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12515379 0.85 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12516829 0.85 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12518535 0.85 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12780067 0.85 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12778955 0.85 KLK7 (0.51) KLK7KLK5SIRT2SIRT1SIRT5

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-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 KLK7 1583/4885KLK5 954/4885SIRT2 902/4885

“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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