SCHEMBL4299449

SCHEMBL4299449

CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.70
EPAS1 Q99814 3/20 0.66
MDH1 P40925 5/20 0.65
MDH2 P40926 5/20 0.65
HCAR2 Q8TDS4 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.55
NR4A2 P43354 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
EP300 Q09472 1/20 0.51

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
SCHEMBL4295580 0.89 MDH1 (0.80) HIF1AEPAS1MDH1MDH2HCAR2
SCHEMBL4295568 0.81 HIF1A (0.73) HIF1AEPAS1MDH1MDH2HCAR2
SCHEMBL2954418 0.80 HIF1A (1.00) HIF1AEPAS1MDH1MDH2HCAR2
SCHEMBL30460318 0.80 HIF1A (1.00) HIF1AEPAS1MDH1MDH2HCAR2
SCHEMBL20495308 0.79 MDH1 (1.00) HIF1AEPAS1MDH1MDH2ALDH1A1
SCHEMBL4299455 0.79 HIF1A (0.66) HIF1AEPAS1HCAR2SMN1; SMN2NR4A2
SCHEMBL3987191 0.77 HCAR2 (1.00) HIF1AEPAS1HCAR2SMN1; SMN2ALDH1A1
SCHEMBL4301174 0.76 HIF1A (1.00) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL21631188 0.76 MDH2 (1.00) HIF1AEPAS1MDH1MDH2ALDH1A1
SCHEMBL417809 0.75 HCAR2 (0.71) HIF1AEPAS1HCAR2SMN1; SMN2ALDH1A1

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-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US claimed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 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-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL HIF1A 2/4885EPAS1 14/4885MDH1 1631/4885

“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.