SCHEMBL21372019

SCHEMBL21372019

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)Cc5c[nH]c6ccccc56)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 8/20 0.49
▸ ERAP2 Q6P179 7/20 0.49
▸ LNPEP Q9UIQ6 7/20 0.49
▸ ITGB2 P05107 4/20 0.47
▸ ICAM1 P05362 4/20 0.47
▸ ITGAL P20701 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ P2RY14 Q15391 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SUV39H2 Q9H5I1 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ PLAUR Q03405 1/20 0.44

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
SCHEMBL12515009 0.95 GHSR (0.47) ERAP1ERAP2LNPEPKDM4EMAPT
SCHEMBL12515369 0.95 ERAP1 (0.54) ERAP1ERAP2LNPEPITGB2ICAM1
SCHEMBL19445891 0.95 ERAP1 (0.54) ERAP1ERAP2LNPEPITGB2ICAM1
SCHEMBL21371598 0.93 ERAP2 (0.47) ERAP1ERAP2LNPEPKDM4EMAPT
SCHEMBL19219738 0.93 GHSR (0.44) ERAP1ERAP2LNPEPKDM4EMAPT
SCHEMBL19219805 0.93 ERAP2 (0.47) ERAP1ERAP2LNPEPKDM4EMAPT
SCHEMBL21371584 0.93 ERAP1 (0.57) ERAP1ERAP2LNPEPITGB2ICAM1
SCHEMBL19945114 0.93 ERAP1 (0.57) ERAP1ERAP2LNPEPITGB2ICAM1
SCHEMBL12515259 0.92 GHSR (0.44) ERAP1ERAP2LNPEPKDM4EMAPT
SCHEMBL12515258 0.92 ERAP2 (0.47) ERAP1ERAP2LNPEPKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — US disclosed
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 (2 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-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 ERAP1 1190/4885ERAP2 646/4885LNPEP 1252/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP1 1190/4885ERAP2 646/4885LNPEP 1252/4885

“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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