SCHEMBL19945118

SCHEMBL19945118

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.43
▸ NPY1R P25929 5/20 0.43
▸ NPY2R P49146 4/20 0.41
▸ NPY5R Q15761 4/20 0.41
▸ AAK1 Q2M2I8 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNB1 Q14721 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
SCHEMBL12518237 0.99 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL16285905 0.98 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10262675 0.98 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL12444369 0.98 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15138938 0.98 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL19445659 0.96 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10261836 0.96 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10263161 0.96 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10263133 0.96 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL10262280 0.96 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RERAP2

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 NPY4R 4874/4885NPY1R 4873/4885NPY2R 4803/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI NPY4R 4874/4885NPY1R 4873/4885NPY2R 4803/4885

“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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