SCHEMBL6298264

SCHEMBL6298264

CC(C)C1(CCc2ccc(F)c(F)c2)CC(O)=CC(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
RIPK1 Q13546 1/20 0.33
DAO P14920 3/20 0.32
HIF1A Q16665 1/20 0.32
GPR183 P32249 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL6296238 0.88 RIPK1 (0.30) RIPK1
SCHEMBL6303666 0.88 AR (0.36)
SCHEMBL6297773 0.87 OPRM1 (0.33) PTGS1PTGS2DAO
SCHEMBL6296613 0.84 TAAR1 (0.38)
SCHEMBL6297922 0.82 GAA (0.39)
SCHEMBL6296227 0.82 GAA (0.39)
SCHEMBL6297837 0.81 HCAR3 (0.30) HCAR3HCAR2
SCHEMBL6296824 0.81 NR3C2 (0.37) RIPK1DAOHCAR3HCAR2
SCHEMBL6302764 0.80 OPRM1 (0.35) DAOHIF1A
SCHEMBL6296215 0.80 KDM4E (0.37)

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 8 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

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 PTGS1 2866/4885PTGS2 3523/4885RIPK1 293/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD PTGS1 3003/4885PTGS2 3676/4885RIPK1 290/4885

“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.