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SCHEMBL10262445

SCHEMBL10262445

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(=O)[C@@H](C)N)ccc4OC)ccc3OC)ccc2OC)cc1C(=O)NCCN

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.38
▸ NPY1R P25929 5/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ KCNB1 Q14721 4/20 0.37
▸ NPY2R P49146 4/20 0.36
▸ NPY5R Q15761 4/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ KCNA5 P22460 1/20 0.35

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
SCHEMBL21372068 0.97 NPY4R (0.38) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10260699 0.95 NPY4R (0.38) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10262700 0.93 NPY4R (0.41) NPY4RNPY1RTSHRMMP2NPY2R
SCHEMBL10260675 0.92 ALDH1A1 (0.39) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10260923 0.92 NPY4R (0.39) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL13973705 0.91 NPY4R (0.39) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10262709 0.91 MMP2 (0.37) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL19445635 0.91 KCNB1 (0.40) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL19486000 0.90 ALDH1A1 (0.36) NPY4RNPY1RTSHRMMP2KCNB1
SCHEMBL10262218 0.90 NPY5R (0.39) NPY4RNPY1RTSHRMMP2KCNB1

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
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-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US 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 (11 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 NPY4R 4770/4885NPY1R 4756/4885TSHR 4275/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 NPY4R 4770/4885NPY1R 4756/4885TSHR 4275/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 NPY4R 4770/4885NPY1R 4756/4885TSHR 4275/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 NPY4R 4770/4885NPY1R 4756/4885TSHR 4275/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 NPY4R 2324/4885NPY1R 3334/4885TSHR 3953/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 NPY4R 2324/4885NPY1R 3334/4885TSHR 3953/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI NPY4R 4874/4885NPY1R 4873/4885TSHR 4769/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 NPY4R 3718/4885NPY1R 3602/4885TSHR 2112/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 NPY4R 4770/4885NPY1R 4756/4885TSHR 4275/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI NPY4R 4874/4885NPY1R 4873/4885TSHR 4769/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 NPY4R 3304/4885NPY1R 3190/4885TSHR 3166/4885

“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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