SCHEMBL19219773

SCHEMBL19219773

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)CCCCN)ccc4OCC(=O)O)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.42
▸ LNPEP Q9UIQ6 5/20 0.42
▸ ERAP1 Q9NZ08 3/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ FFAR1 O14842 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ TERT O14746 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
SCHEMBL21371982 1.00 ERAP2 (0.42) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL21371614 1.00 ERAP2 (0.42) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL12444349 0.99 ERAP2 (0.43) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL10199137 0.99 ERAP2 (0.43) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL10199226 0.99 ERAP2 (0.43) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL12444347 0.99 ERAP2 (0.43) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL13978374 0.97 MMP2 (0.41) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL13978361 0.96 ERAP2 (0.41) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL10199113 0.95 ERAP2 (0.40) ERAP2LNPEPERAP1LTA4HSUV39H2
SCHEMBL10261754 0.93 ERAP2 (0.46) ERAP2LNPEPERAP1LTA4HSUV39H2

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-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP2 646/4885LNPEP 1252/4885ERAP1 1190/4885

“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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