SCHEMBL13973855

SCHEMBL13973855

COc1ccc(NC(=O)[C@H](CCCCN)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)ccc4SC)ccc3O)ccc2OC)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.39
▸ LNPEP Q9UIQ6 6/20 0.39
▸ ERAP1 Q9NZ08 3/20 0.39
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ LTA4H P09960 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ MEF2D Q14814 1/20 0.34

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
SCHEMBL10199148 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL10199231 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL10261762 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL19944924 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL19944718 0.95 ERAP2 (0.41) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL12444374 0.94 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL19944719 0.94 ERAP2 (0.41) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL10199132 0.94 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2KMT2A
SCHEMBL10262149 0.94 ERAP2 (0.43) ERAP2LNPEPERAP1SUV39H2MMP2
SCHEMBL13978373 0.90 ERAP2 (0.40) ERAP2LNPEPERAP1SUV39H2KMT2A

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-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — 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-20120295922-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.

Send feedback