SCHEMBL13973792

SCHEMBL13973792

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)CCCNC(=N)N)ccc4OC)ccc3OC)ccc2OC)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.41
▸ NPY1R P25929 5/20 0.41
▸ NPY2R P49146 4/20 0.40
▸ NPY5R Q15761 4/20 0.40
▸ AAK1 Q2M2I8 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ SYK P43405 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
SCHEMBL10262675 0.93 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15277771 0.93 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL12444369 0.93 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL16285905 0.93 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15138938 0.93 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL10261740 0.93 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL15277754 0.91 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL19945118 0.91 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL13973694 0.91 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1
SCHEMBL12514984 0.91 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RAAK1

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 4756/4885NPY2R 4442/4885

“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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