SCHEMBL12515258

SCHEMBL12515258

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)CCCCN)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.47
▸ ERAP1 Q9NZ08 7/20 0.47
▸ LNPEP Q9UIQ6 6/20 0.47
▸ GHSR Q92847 6/20 0.47
▸ NPY1R P25929 2/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ IL1RN P18510 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21371598 0.99 ERAP2 (0.47) ERAP2ERAP1LNPEPGHSRNPY1R
SCHEMBL19219805 0.99 ERAP2 (0.47) ERAP2ERAP1LNPEPGHSRNPY1R
SCHEMBL12515009 0.97 GHSR (0.47) ERAP2ERAP1LNPEPGHSRKDM4E
SCHEMBL17949765 0.95 ERAP2 (0.46) ERAP2ERAP1LNPEPGHSRNPY1R
SCHEMBL21372019 0.92 ERAP1 (0.49) ERAP2ERAP1LNPEPKDM4EMAPT
SCHEMBL19219797 0.91 MC4R (0.45) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL19486139 0.91 MC4R (0.45) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL13973759 0.91 MC4R (0.46) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL12514972 0.91 MC4R (0.46) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL13973837 0.91 MC4R (0.46) ERAP2ERAP1LNPEPNPY1RNPY2R

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 14 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
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP 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
WO-2012158672-A2 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS POLYMEDIX, INC. (US) 2012-11-22 — — WO disclosed
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 — — US disclosed
WO-2011084970-A1 ANTI-HEPARIN COMPOUNDS POLYMEDIX INC. (US) 2011-07-14 — — WO 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 (6 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-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-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 ERAP2 325/4885ERAP1 332/4885LNPEP 222/4885
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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