SCHEMBL85722

SCHEMBL85722

CC(C)(C)c1cc(N)c(SCCN)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(N)c3SCCN)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
KIF11 P52732 3/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
KCNK3 O14649 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
MAPK1 P28482 2/20 0.39
HDAC2 Q92769 2/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL15176889 0.96 KIF11 (0.46) PTGS1KIF11MEN1KMT2AMAPT
SCHEMBL16284384 0.96 PTGS1 (0.41) PTGS1KIF11MEN1KMT2AMAPT
SCHEMBL10198572 0.96 PTGS1 (0.41) PTGS1KIF11MEN1KMT2AMAPT
SCHEMBL14655190 0.90 PTGS1 (0.38) PTGS1KIF11MEN1KMT2AMAPT
SCHEMBL15244898 0.88 PTGS1 (0.56) PTGS1MEN1KMT2AMAPTRAB9A
SCHEMBL85827 0.88 KIF11 (0.41) PTGS1KIF11MEN1KMT2AMAPT
SCHEMBL16605514 0.87 PTGS1 (0.38) PTGS1MEN1KMT2AMAPTRAB9A
SCHEMBL15244972 0.86 MEN1 (0.38) KIF11MEN1KMT2AMAPTRAB9A
SCHEMBL85496 0.86 PTGS1 (0.37) PTGS1MEN1KMT2AMAPTRAB9A
SCHEMBL18116452 0.85 PTGS1 (0.34) PTGS1KIF11MEN1KMT2AMAPT

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-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-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-9241917-B2 Facially amphiphilic polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-26 US disclosed
US-9241917-B2 Facially amphiphilic polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-01-26 US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 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 (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-20080176807-A1 Facially amphiphilic polymers and oligomers and uses thereof TLR3, ABHD16A, ANTXR2 PTGS1 3230/4885KIF11 4373/4885MEN1 1960/4885
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 PTGS1 202/4885KIF11 2152/4885MEN1 2352/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 PTGS1 202/4885KIF11 2152/4885MEN1 2352/4885
US-20160151314-A1 Facially Amphiphilic Polymers and Oligomers and Uses Thereof TLR3, ABHD16A, ANTXR2 PTGS1 3230/4885KIF11 4373/4885MEN1 1960/4885
US-20100298344-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF PTGS1 37/4885KIF11 3075/4885MEN1 1338/4885
US-20090239811-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF PTGS1 37/4885KIF11 3075/4885MEN1 1338/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 PTGS1 202/4885KIF11 2152/4885MEN1 2352/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 PTGS1 186/4885KIF11 767/4885MEN1 756/4885

“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.