SCHEMBL6296487

SCHEMBL6296487

CCOC(=O)CC(=O)CC(O)(CCc1ccccc1C(F)(F)F)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.46
PPARG P37231 4/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
POLQ O75417 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL6699504 0.85 CYP4F2 (0.53) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6296311 0.85 CYP4F2 (0.53) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6296312 0.85 CYP4F2 (0.53) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6297901 0.83 NLRP3 (0.39) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6297903 0.83 NLRP3 (0.39) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6296415 0.82 SMN1; SMN2 (0.44) ALDH1A1ALOX5HDAC1HDAC8
SCHEMBL6296764 0.80 NR3C2 (0.39) EPHX2PPARG
SCHEMBL6297611 0.80 PPARG (0.40) EPHX2PPARGKDM4EALDH1A1CYP4F2
SCHEMBL6296103 0.80 SLC13A5 (0.45) EPHX2PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL6303370 0.79 THRB (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US claimed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO 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 (2 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-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD EPHX2 2436/4885PPARG 4755/4885SLC6A2 4182/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD EPHX2 2678/4885PPARG 4751/4885SLC6A2 4238/4885

“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.