SCHEMBL2302717

SCHEMBL2302717

COc1cc(C(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
FLT3 P36888 3/20 0.52
GCGR P47871 4/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL30008166 0.87 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL2303556 0.87 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL12427250 0.85 ALDH1A1 (0.61) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL29402524 0.83 MEN1 (0.61) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL14739430 0.83 MEN1 (0.61) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL29403411 0.83 SLC22A6 (0.51) SLC22A6SLC22A8FLT3GCGRMEN1
SCHEMBL2302518 0.83 SLC22A6 (0.51) SLC22A6SLC22A8FLT3GCGRMEN1
SCHEMBL14740127 0.82 NPC1 (0.54) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL14755285 0.82 LMNA (0.46) KDM4EALDH1A1LMNAHSD17B10FLT3
SCHEMBL14739487 0.81 MEN1 (0.62) KDM4EALDH1A1LMNAHSD17B10FLT3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US claimed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US claimed
WO-2011103557-A1 SMALL MOLECULE INHIBITORS OF PFKFB3 AND GLYCOLYTIC FLUX AND THEIR METHODS OF USE AS ANTI-CANCER THERAPEUTICS ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-08-25 WO claimed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 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 (1 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-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics PFKFB3, PFKFB1, PFKFB2 KDM4E 1704/4885ALDH1A1 1970/4885LMNA 3957/4885

“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.