Sugi Predict

Sugi Predict / Compounds / SCHEMBL12514758

SCHEMBL12514758

SCHEMBL12514758

COc1cc(OC)c(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(C(=O)N[C@H]4CC[C@@H](NC(=O)c5cc(C(=O)NC6CCNCC6)c(OC)cc5OC)CC4)c(OC)cc3OC)CC2)cc1C(=O)NC1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 5/20 0.70
▸ ALDH1A1 P00352 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ DRD4 P21917 1/20 0.55
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMYD3 Q9H7B4 2/20 0.50
▸ HPGD P15428 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ HTR3A P46098 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ HPGDS O60760 1/20 0.46

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
SCHEMBL12514759 0.86 HTR4 (0.55) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL12515253 0.85 HTR4 (0.57) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL13977760 0.84 ALDH1A1 (0.67) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL19486012 0.84 ALDH1A1 (0.67) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL12518534 0.84 ALDH1A1 (0.67) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL12515312 0.83 ALDH1A1 (0.91) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL593226 0.83 HTR4 (1.00) HTR4DRD4HTR3AOPRK1
SCHEMBL10107502 0.82 HTR4 (0.67) HTR4ALDH1A1DRD4L3MBTL1KDM1A
Hydrochloric Acid SCHEMBL534945 0.82 HTR4 (0.98) HTR4DRD4HTR3AOPRK1
SCHEMBL17949766 0.82 ALDH1A1 (0.57) HTR4ALDH1A1KDM4EMEN1MAPT

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 17 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
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 (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 HTR4 4253/4885ALDH1A1 1289/4885KDM4E 3761/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 HTR4 4253/4885ALDH1A1 1289/4885KDM4E 3761/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 HTR4 4253/4885ALDH1A1 1289/4885KDM4E 3761/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HTR4 4253/4885ALDH1A1 1289/4885KDM4E 3761/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI HTR4 4321/4885ALDH1A1 899/4885KDM4E 3801/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 HTR4 3762/4885ALDH1A1 3248/4885KDM4E 2875/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HTR4 4253/4885ALDH1A1 1289/4885KDM4E 3761/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI HTR4 4321/4885ALDH1A1 899/4885KDM4E 3801/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 HTR4 3600/4885ALDH1A1 1127/4885KDM4E 4140/4885

“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.