SCHEMBL13973828

SCHEMBL13973828

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)CCCCNC(=N)N)ccc3OC)ccc2OC)cc1C(=O)N[C@H](CCCNC(=N)N)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.44
▸ NPY5R Q15761 6/20 0.44
▸ NPY1R P25929 5/20 0.44
▸ NPY2R P49146 3/20 0.44
▸ MMP2 P08253 2/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ROCK2 O75116 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
SCHEMBL13973829 0.96 NPY4R (0.45) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL10260131 0.94 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL13973702 0.93 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL19445529 0.93 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL13973797 0.92 NPY4R (0.44) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL10262456 0.92 NPY4R (0.45) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL10263117 0.91 HDAC1 (0.42) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL10267931 0.90 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL10262202 0.90 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RMMP2
SCHEMBL13973704 0.90 NPY4R (0.43) NPY4RNPY5RNPY1RNPY2RMMP2

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 4770/4885NPY5R 4078/4885NPY1R 4756/4885

“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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