SCHEMBL12514985

SCHEMBL12514985

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](CCCCN)NC(=O)c5ccccc5)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC4 P56524 6/20 0.43
▸ HDAC3 O15379 4/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ FFAR1 O14842 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL21372022 0.99 HDAC1 (0.44) MMP2ITGB3ITGB1ITGAVITGA2B
SCHEMBL12515244 0.94 HDAC1 (0.47) MMP2HDAC1HDAC4HDAC3HDAC7
SCHEMBL19445793 0.94 HDAC1 (0.47) MMP2HDAC1HDAC4HDAC3HDAC7
SCHEMBL18116742 0.94 KLKB1 (0.46) MMP2ITGB3ITGB1ITGAVITGA2B
SCHEMBL21371960 0.93 HDAC1 (0.48) MMP2HDAC1HDAC4HDAC3HDAC7
SCHEMBL19219853 0.93 HDAC1 (0.48) MMP2HDAC1HDAC4HDAC3HDAC7
SCHEMBL12514974 0.91 TSHR (0.44) MMP2ITGB3ITGA2BHDAC1HDAC4
SCHEMBL12444347 0.91 ERAP2 (0.43) MMP2ITGB3ITGB1ITGAVITGA2B
SCHEMBL10199166 0.91 FFAR1 (0.41) MMP2ITGB3ITGB1ITGAVITGA2B
SCHEMBL12444349 0.91 ERAP2 (0.43) MMP2ITGB3ITGB1ITGAVITGA2B

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-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
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 (8 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 MMP2 367/4885ITGB3 1062/4885ITGB1 1763/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 MMP2 367/4885ITGB3 1062/4885ITGB1 1763/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 MMP2 367/4885ITGB3 1062/4885ITGB1 1763/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MMP2 367/4885ITGB3 1062/4885ITGB1 1763/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI MMP2 595/4885ITGB3 1534/4885ITGB1 2236/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 MMP2 174/4885ITGB3 358/4885ITGB1 1133/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI MMP2 595/4885ITGB3 1534/4885ITGB1 2236/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 MMP2 146/4885ITGB3 999/4885ITGB1 1232/4885

“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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