SCHEMBL13973836

SCHEMBL13973836

COc1ccc(C(N)=O)cc1NC(=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](N)CCCNC(=N)N)ccc3OC)ccc2OC)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 9/20 0.40
▸ ERAP1 Q9NZ08 4/20 0.40
▸ LNPEP Q9UIQ6 6/20 0.40
▸ NPY4R P50391 6/20 0.39
▸ NPY1R P25929 4/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPY2R P49146 3/20 0.37
▸ NPY5R Q15761 3/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 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
SCHEMBL19445734 1.00 ERAP2 (0.40) ERAP2ERAP1LNPEPNPY4RNPY1R
SCHEMBL17949774 0.98 ERAP2 (0.38) ERAP2ERAP1LNPEPNPY4RNPY1R
SCHEMBL10260958 0.91 PARP1 (0.40) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL10262675 0.91 NPY4R (0.42) NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL12444369 0.91 NPY4R (0.42) NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL16285905 0.91 NPY4R (0.42) NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL15138938 0.91 NPY4R (0.42) NPY4RNPY1RKMT2ANPY2RNPY5R
SCHEMBL10261272 0.90 F3 (0.40) NPY4RNPY1RMMP2HDAC1HDAC6
SCHEMBL19945118 0.89 NPY4R (0.43) ERAP2LNPEPNPY4RNPY1RKMT2A
SCHEMBL10261740 0.89 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RMMP2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — US disclosed
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 — — US disclosed
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
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 — — US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 — — US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 — — US disclosed
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 (7 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP2 646/4885ERAP1 1190/4885LNPEP 1252/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 ERAP2 646/4885ERAP1 1190/4885LNPEP 1252/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 ERAP2 646/4885ERAP1 1190/4885LNPEP 1252/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP2 646/4885ERAP1 1190/4885LNPEP 1252/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI ERAP2 692/4885ERAP1 1246/4885LNPEP 802/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP2 646/4885ERAP1 1190/4885LNPEP 1252/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ERAP2 692/4885ERAP1 1246/4885LNPEP 802/4885

“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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