SCHEMBL10260699

SCHEMBL10260699

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)NCCCCCN

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.38
▸ NPY1R P25929 5/20 0.38
▸ NPY2R P49146 4/20 0.38
▸ NPY5R Q15761 4/20 0.38
▸ TSHR P16473 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ KCNB1 Q14721 3/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ AAK1 Q2M2I8 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) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10262445 0.95 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10268071 0.93 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10263115 0.93 ALDH1A1 (0.38) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10267760 0.91 SIRT6 (0.38) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10260923 0.91 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL13973705 0.90 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10267916 0.90 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10262685 0.90 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL10267765 0.90 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RMMP2

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 13 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-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-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 (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 NPY4R 4770/4885NPY1R 4756/4885NPY2R 4442/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 NPY4R 4770/4885NPY1R 4756/4885NPY2R 4442/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 NPY4R 2324/4885NPY1R 3334/4885NPY2R 2830/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 NPY4R 2324/4885NPY1R 3334/4885NPY2R 2830/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI NPY4R 4874/4885NPY1R 4873/4885NPY2R 4803/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 NPY4R 3718/4885NPY1R 3602/4885NPY2R 3475/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI NPY4R 4874/4885NPY1R 4873/4885NPY2R 4803/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 NPY4R 3304/4885NPY1R 3190/4885NPY2R 2759/4885

“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