SCHEMBL19944875

SCHEMBL19944875

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCNC(N)=O)NC(=O)c3cc(NC(=O)[C@H](CCCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)CCCCN)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.42
▸ LNPEP Q9UIQ6 5/20 0.42
▸ ERAP1 Q9NZ08 3/20 0.41
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ TERT O14746 3/20 0.39
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ TSHR P16473 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
SCHEMBL19944721 0.99 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL19219138 0.98 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL19945129 0.98 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL10199276 0.97 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL10199359 0.97 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL10199175 0.97 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL10199372 0.97 ERAP2 (0.42) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL10261754 0.94 ERAP2 (0.46) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL19945106 0.94 ERAP2 (0.41) ERAP2LNPEPERAP1SUV39H2TERT
SCHEMBL10262189 0.93 AAK1 (0.40) AAK1TSHR

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-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 — — US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — 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-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI ERAP2 692/4885LNPEP 802/4885ERAP1 1246/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ERAP2 692/4885LNPEP 802/4885ERAP1 1246/4885

“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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