SCHEMBL21371933

SCHEMBL21371933

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCCN)NC(=O)c3cc(NC(=O)[C@@H](N)CCCCCN)ccc3OC)ccc2OC)cc1C(=O)N[C@@H](CCCCN)C(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.44
▸ LNPEP Q9UIQ6 6/20 0.44
▸ ERAP1 Q9NZ08 3/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL12517112 0.99 ERAP2 (0.45) ERAP2LNPEPERAP1PARP1PARP10
SCHEMBL19945119 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL21371992 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL21371991 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL21371923 0.95 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL19445724 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL19445798 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL12515364 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL12515355 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3
SCHEMBL10260969 0.94 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC1HDAC3

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 ERAP2 646/4885LNPEP 1252/4885ERAP1 1190/4885
US-20190282521-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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