SCHEMBL13973871

SCHEMBL13973871

CNC(=O)[C@@H](CCCNC(=N)N)NC(=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](C)NC(=O)CCN)ccc3OC)ccc2OC)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.40
▸ NPY5R Q15761 5/20 0.40
▸ NPY1R P25929 5/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ NPY2R P49146 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ KCNB1 Q14721 4/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KCNA5 P22460 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ KCNK2 O95069 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13973791 0.98 NPY5R (0.39) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL13973795 0.95 NPY4R (0.42) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL10262218 0.94 NPY5R (0.39) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL13973756 0.94 NPY4R (0.43) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL13973704 0.94 NPY4R (0.43) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL10267916 0.93 NPY4R (0.41) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL13973874 0.92 NPY4R (0.43) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL10263191 0.91 NPY4R (0.42) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL10262685 0.90 NPY4R (0.44) NPY4RNPY5RNPY1RMMP2NPY2R
SCHEMBL10261709 0.90 NPY4R (0.42) NPY4RNPY5RNPY1RMMP2NPY2R

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.

Send feedback