SCHEMBL19219894

SCHEMBL19219894

NCCCC[C@H](NC(=O)c1cc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@@H](N)CCCCN)ccc3C=O)ccc2C=O)ccc1C=O)C(=O)Nc1ccc(C=O)c(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 11/20 0.41
▸ LNPEP Q9UIQ6 9/20 0.41
▸ TERT O14746 3/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ ERAP1 Q9NZ08 5/20 0.41
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL19445622 0.85 ERAP2 (0.43) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL19445644 0.82 ERAP2 (0.44) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL10260914 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL10262676 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL19445836 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL19445838 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL31024631 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL10267622 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
SCHEMBL15138936 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1
Delparantag SCHEMBL10261851 0.82 ERAP2 (0.47) ERAP2LNPEPTERTLTA4HERAP1

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 1252/4885TERT 2269/4885

“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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