SCHEMBL12516946

SCHEMBL12516946

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(C(=O)N[C@@H](CCCCN)C(=O)Nc3ccc(OC)c(C(=O)N[C@@H](CCCCN)C(N)=O)c3)c(OC)cc2OC)cc1C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MMP2 P08253 4/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ KCNB1 Q14721 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ PDF Q9HBH1 1/20 0.38
▸ ERAP2 Q6P179 3/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.37

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
SCHEMBL19445833 1.00 KLKB1 (0.42) KLKB1TSHRMMP2HPGDSKCNB1
SCHEMBL13977753 0.95 KLKB1 (0.40) KLKB1TSHRMMP2HPGDSKCNB1
SCHEMBL19445834 0.93 MMP2 (0.39) KLKB1TSHRMMP2HPGDSKCNB1
SCHEMBL12779221 0.92 ERAP2 (0.47) KLKB1TSHRMMP2HPGDSSUV39H2
SCHEMBL19944963 0.91 HPGDS (0.48) KLKB1TSHRMMP2HPGDSKCNB1
SCHEMBL10262875 0.88 ROCK2 (0.39) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL21371588 0.88 ROCK2 (0.39) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL19445498 0.88 ROCK2 (0.39) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL10262850 0.87 KLKB1 (0.42) KLKB1TSHRMMP2KCNB1KMT2A
SCHEMBL12767238 0.87 ALDH1A1 (0.43) KLKB1TSHRMMP2KCNB1KMT2A

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 15 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-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

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 KLKB1 1324/4885TSHR 4275/4885MMP2 367/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 KLKB1 1324/4885TSHR 4275/4885MMP2 367/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 KLKB1 1324/4885TSHR 4275/4885MMP2 367/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 KLKB1 1324/4885TSHR 4275/4885MMP2 367/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI KLKB1 1370/4885TSHR 4769/4885MMP2 595/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 KLKB1 302/4885TSHR 2112/4885MMP2 174/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 KLKB1 1324/4885TSHR 4275/4885MMP2 367/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 KLKB1 1372/4885TSHR 3166/4885MMP2 146/4885

“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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