SCHEMBL21372057

SCHEMBL21372057

COc1ccc(NC(=O)[C@H](CCCCN)c2cc(NC(=O)[C@H](CCCCN)c3cc(NC(=O)[C@H](CCCCN)c4cc(NC(=O)[C@@H](N)CCCCCN)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.45
▸ LTA4H P09960 1/20 0.42
▸ AAK1 Q2M2I8 8/20 0.41
▸ TERT O14746 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL21865048 1.00 SUV39H2 (0.45) SUV39H2LTA4HAAK1TERTMEN1
SCHEMBL13815084 0.91 SUV39H2 (0.51) SUV39H2LTA4HAAK1TERTMEN1
SCHEMBL13815099 0.88 AAK1 (0.48) SUV39H2LTA4HAAK1TERTMEN1
SCHEMBL10261754 0.84 ERAP2 (0.46) SUV39H2LTA4HAAK1TERTMMP2
SCHEMBL15138936 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
Delparantag SCHEMBL10260914 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
Delparantag SCHEMBL10262676 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
Delparantag SCHEMBL10267622 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
Delparantag SCHEMBL19445838 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
Delparantag SCHEMBL31024631 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2

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-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 — — 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-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 SUV39H2 1764/4885LTA4H 155/4885AAK1 4400/4885

“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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