SCHEMBL85496

SCHEMBL85496

CC(C)(C)c1cc(N)c(SCCNC(=N)N)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(N)c3SCCNC(=N)N)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
FGFR3 P22607 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL10198582 0.98 PLK4 (0.37) PTGS1MAPK14NPC1RAB9AMAPK1
SCHEMBL85723 0.90 PLK4 (0.38) MAPK14NPC1RAB9AMAPK1ALDH1A1
SCHEMBL18116453 0.90 PLK4 (0.38) MAPK14NPC1RAB9AMAPK1ALDH1A1
SCHEMBL17943881 0.87 PLK4 (0.36) MAPK14NPC1RAB9AMAPK1ALDH1A1
SCHEMBL16605514 0.87 PTGS1 (0.38) PTGS1MAPK14NPC1RAB9AMAPK1
SCHEMBL11932050 0.86 HDAC1 (0.40) PTGS1MAPK14NPC1RAB9AMAPK1
SCHEMBL85722 0.86 PTGS1 (0.44) PTGS1NPC1RAB9AMAPK1ALDH1A1
SCHEMBL86141 0.86 NPC1 (0.36) NPC1RAB9AMAPK1ALDH1A1CASP3
SCHEMBL85873 0.86 HDAC3 (0.46) HDAC8HDAC6HDAC3HDAC1
SCHEMBL10198578 0.84 NPC1 (0.35) NPC1RAB9AALDH1A1CASP3HTT

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 41 patents — showing the first 20. 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-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-20160151314-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof NATIONAL SCIENCE FOUNDATION 2016-06-02 US disclosed
US-20100298344-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. 2010-11-25 US disclosed
US-20100298344-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. 2010-11-25 US disclosed
US-7745662-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2010-06-29 US disclosed
US-7745662-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2010-06-29 US disclosed
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. (US) 2009-09-24 US disclosed
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. (US) 2009-09-24 US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 US disclosed
US-20080176807-A1 Facially amphiphilic polymers and oligomers and uses thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2008-07-24 US disclosed
US-20080176807-A1 Facially amphiphilic polymers and oligomers and uses thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2008-07-24 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 (10 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-20080176807-A1 Facially amphiphilic polymers and oligomers and uses thereof TLR3, ABHD16A, ANTXR2 PTGS1 3230/4885MAPK14 3508/4885NPC1 1343/4885
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 PTGS1 202/4885MAPK14 4340/4885NPC1 571/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 PTGS1 202/4885MAPK14 4340/4885NPC1 571/4885
US-20160151314-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof TLR3, ABHD16A, ANTXR2 PTGS1 3230/4885MAPK14 3508/4885NPC1 1343/4885
US-20100298344-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF PTGS1 37/4885MAPK14 2309/4885NPC1 1800/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI PTGS1 194/4885MAPK14 3914/4885NPC1 791/4885
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF PTGS1 37/4885MAPK14 2309/4885NPC1 1800/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 PTGS1 202/4885MAPK14 4340/4885NPC1 571/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI PTGS1 194/4885MAPK14 3914/4885NPC1 791/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 PTGS1 186/4885MAPK14 4121/4885NPC1 590/4885

“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.