SCHEMBL19944726

SCHEMBL19944726

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(=O)NCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 6/20 0.42
▸ MMP2 P08253 5/20 0.42
▸ NPY4R P50391 6/20 0.41
▸ NPY1R P25929 4/20 0.41
▸ POLB P06746 1/20 0.39
▸ NPY2R P49146 3/20 0.39
▸ NPY5R Q15761 3/20 0.39

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
SCHEMBL19219789 1.00 SIRT5 (0.42) SIRT5MMP2NPY4RNPY1RPOLB
SCHEMBL12514977 0.98 MMP2 (0.43) SIRT5MMP2NPY4RNPY1RPOLB
SCHEMBL12518601 0.98 MMP2 (0.43) SIRT5MMP2NPY4RNPY1RPOLB
SCHEMBL19219798 0.93 MMP2 (0.45) SIRT5MMP2NPY4RNPY1RNPY2R
SCHEMBL19219801 0.93 MMP2 (0.45) SIRT5MMP2NPY4RNPY1RNPY2R
SCHEMBL19944786 0.93 MMP2 (0.45) SIRT5MMP2NPY4RNPY1RNPY2R
SCHEMBL21371594 0.93 SIRT5 (0.47) SIRT5MMP2POLB
SCHEMBL19486026 0.93 SIRT5 (0.47) SIRT5MMP2POLB
SCHEMBL12514981 0.91 MMP2 (0.46) MMP2NPY4RNPY1RNPY2RNPY5R
SCHEMBL12514973 0.91 MMP2 (0.46) MMP2NPY4RNPY1RNPY2RNPY5R

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 SIRT5 964/4885MMP2 595/4885NPY4R 4874/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI SIRT5 964/4885MMP2 595/4885NPY4R 4874/4885

“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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