SCHEMBL12515364

SCHEMBL12515364

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cccc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@@H](N)CCCCN)ccc4OC)c3)ccc2OC)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 11/20 0.47
▸ LNPEP Q9UIQ6 10/20 0.47
▸ ERAP1 Q9NZ08 5/20 0.47
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19445798 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL12515355 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL10260969 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL19445724 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL21371991 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL21371923 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL21371992 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL19945119 0.99 ERAP2 (0.47) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL19445847 0.95 ERAP2 (0.45) ERAP2LNPEPERAP1HDAC3HDAC4
SCHEMBL12517112 0.95 ERAP2 (0.45) ERAP2LNPEPERAP1HDAC3HDAC4

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 16 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
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-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 (9 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 646/4885LNPEP 1252/4885ERAP1 1190/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 ERAP2 646/4885LNPEP 1252/4885ERAP1 1190/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 ERAP2 646/4885LNPEP 1252/4885ERAP1 1190/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP2 646/4885LNPEP 1252/4885ERAP1 1190/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI ERAP2 692/4885LNPEP 802/4885ERAP1 1246/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 ERAP2 325/4885LNPEP 222/4885ERAP1 332/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ERAP2 646/4885LNPEP 1252/4885ERAP1 1190/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ERAP2 692/4885LNPEP 802/4885ERAP1 1246/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 ERAP2 1201/4885LNPEP 2208/4885ERAP1 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.

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