SCHEMBL10263115

SCHEMBL10263115

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(C)=O)ccc4OC)ccc3OC)ccc2OC)cc1C(=O)NCCCCCN

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ NPY4R P50391 3/20 0.37
▸ NPY1R P25929 2/20 0.37
▸ NPY2R P49146 2/20 0.37
▸ NPY5R Q15761 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ SIRT5 Q9NXA8 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
SCHEMBL21372067 0.97 ALDH1A1 (0.39) ALDH1A1CA1CA2TSHRMMP2
SCHEMBL19445545 0.95 KCNB1 (0.41) SIRT6SIRT1HDAC1HDAC3
SCHEMBL10260675 0.95 ALDH1A1 (0.39) ALDH1A1NPY4RNPY1RCA1CA2
SCHEMBL10267760 0.94 SIRT6 (0.38) SIRT6SIRT1NPY4RNPY1RNPY2R
SCHEMBL10260699 0.93 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL10268071 0.93 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL19445176 0.91 LMNA (0.41) ALDH1A1CA1CA2TSHRMMP2
SCHEMBL21371949 0.91 CA1 (0.40) ALDH1A1SIRT1NPY4RNPY1RCA1
SCHEMBL19486135 0.91 CA1 (0.40) ALDH1A1SIRT1NPY4RNPY1RCA1
SCHEMBL12515508 0.91 ALDH1A1 (0.41) ALDH1A1NPY4RNPY1RCA1CA2

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 14 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
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 (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 ALDH1A1 1289/4885SIRT6 799/4885SIRT1 688/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 ALDH1A1 1289/4885SIRT6 799/4885SIRT1 688/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ALDH1A1 1289/4885SIRT6 799/4885SIRT1 688/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 ALDH1A1 2581/4885SIRT6 2062/4885SIRT1 1269/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 ALDH1A1 2581/4885SIRT6 2062/4885SIRT1 1269/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI ALDH1A1 899/4885SIRT6 709/4885SIRT1 483/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 ALDH1A1 3248/4885SIRT6 718/4885SIRT1 526/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ALDH1A1 899/4885SIRT6 709/4885SIRT1 483/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 ALDH1A1 1127/4885SIRT6 1611/4885SIRT1 1504/4885

“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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