SCHEMBL4432991

SCHEMBL4432991

COC(=O)Cc1cc(OC)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDK2 Q15119 1/20 0.37
MAPK8 P45983 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL491756 0.96 HSP90AB1 (0.49) HSP90AB1KDM4EGAAALDH1A1HTT
SCHEMBL5052624 0.88 HSP90AB1 (0.42) HSP90AB1GAAALDH1A1HTTTDP1
SCHEMBL13745300 0.87 HSP90AB1 (0.44) HSP90AB1KDM4EGAAALDH1A1HTT
SCHEMBL6471151 0.87 HSP90AB1 (0.59) HSP90AB1GAAALDH1A1CYP4F2CYP4A11
SCHEMBL154477 0.86 HSP90AB1 (0.43) HSP90AB1KDM4EGAAALDH1A1HTT
SCHEMBL14077192 0.86 HSP90AB1 (0.43) HSP90AB1KDM4EGAAALDH1A1HTT
SCHEMBL5051841 0.85 HSP90AB1 (0.40) HSP90AB1KDM4EALDH1A1L3MBTL1CYP4F2
SCHEMBL5050137 0.84 CNR1 (0.42) HSP90AB1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1592632 0.83 MEN1 (0.47) HSP90AB1ALDH1A1MEN1KMT2APDK2
SCHEMBL4184054 0.83 HSP90AB1 (0.38) HSP90AB1GAAALDH1A1L3MBTL1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD HSP90AB1 192/4885KDM4E 4785/4885GAA 1562/4885

“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.