SCHEMBL13973705

SCHEMBL13973705

CNC(=O)c1cc(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](C)N)ccc4OC)ccc3OC)ccc2OC)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.39
▸ NPY1R P25929 6/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ KCNB1 Q14721 4/20 0.38
▸ NPY2R P49146 5/20 0.37
▸ NPY5R Q15761 5/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KCNA5 P22460 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
SCHEMBL10260923 0.94 NPY4R (0.39) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL19445635 0.92 KCNB1 (0.40) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10262445 0.91 NPY4R (0.38) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL21372068 0.91 NPY4R (0.38) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL13973830 0.91 MMP2 (0.38) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL13973702 0.90 NPY4R (0.42) NPY4RNPY1RTSHRMMP2NPY2R
SCHEMBL15277771 0.90 NPY4R (0.42) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10260699 0.90 NPY4R (0.38) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL13973874 0.88 NPY4R (0.43) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL13973791 0.88 NPY5R (0.39) NPY4RNPY1RTSHRMMP2KCNB1

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 NPY4R 4770/4885NPY1R 4756/4885TSHR 4275/4885

“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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