SCHEMBL12515009

SCHEMBL12515009

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)Cc5c[nH]c6ccccc56)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 10)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 8/20 0.47
▸ ERAP2 Q6P179 2/20 0.44
▸ ERAP1 Q9NZ08 2/20 0.44
▸ LNPEP Q9UIQ6 2/20 0.44
▸ SUV39H2 Q9H5I1 2/20 0.44
▸ 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
▸ UTS2R Q9UKP6 1/20 0.43

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
SCHEMBL12515258 0.97 ERAP2 (0.47) GHSRERAP2ERAP1LNPEPKDM4E
SCHEMBL19219805 0.97 ERAP2 (0.47) GHSRERAP2ERAP1LNPEPKDM4E
SCHEMBL21371598 0.97 ERAP2 (0.47) GHSRERAP2ERAP1LNPEPKDM4E
SCHEMBL21372019 0.95 ERAP1 (0.49) ERAP2ERAP1LNPEPSUV39H2KDM4E
SCHEMBL12515259 0.93 GHSR (0.44) GHSRERAP2ERAP1LNPEPSUV39H2
SCHEMBL19219738 0.93 GHSR (0.44) GHSRERAP2ERAP1LNPEPSUV39H2
SCHEMBL17949765 0.93 ERAP2 (0.46) GHSRERAP2ERAP1LNPEPUTS2R
SCHEMBL19214489 0.91 MC4R (0.46) ERAP2ERAP1LNPEPKDM4EMAPT
SCHEMBL12515369 0.90 ERAP1 (0.54) ERAP2ERAP1LNPEPSUV39H2KDM4E
SCHEMBL19445891 0.90 ERAP1 (0.54) ERAP2ERAP1LNPEPSUV39H2KDM4E

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-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-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 — — US disclosed
US-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 — — 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
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-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 GHSR 1543/4885ERAP2 646/4885ERAP1 1190/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 GHSR 1543/4885ERAP2 646/4885ERAP1 1190/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI GHSR 4036/4885ERAP2 692/4885ERAP1 1246/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 GHSR 2631/4885ERAP2 325/4885ERAP1 332/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI GHSR 4036/4885ERAP2 692/4885ERAP1 1246/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 GHSR 182/4885ERAP2 1201/4885ERAP1 2517/4885

“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