SCHEMBL6296229

SCHEMBL6296229

Cc1ccc(S(=O)(=O)Sc2cc(C)c(CCO)cc2C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.40
BCHE P06276 6/20 0.38
ACHE P22303 6/20 0.38
G6PD P11413 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL5880896 0.90 DNMT1 (0.42) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL8008611 0.81 DNMT1 (0.45) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL5880825 0.80 DNMT1 (0.38) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL8702569 0.79 DNMT1 (0.46) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL5880835 0.78 DNMT1 (0.45) DNMT1BCHEACHEG6PDALDH1A1
Hydrochloric Acid SCHEMBL5880769 0.77 DNMT1 (0.44) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL5880909 0.77 DNMT1 (0.41) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL6298449 0.76 BCHE (0.46) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL6296402 0.75 DNMT1 (0.47) DNMT1BCHEACHEG6PDALDH1A1
SCHEMBL5880931 0.75 LMNA (0.42) DNMT1ALDH1A1KMT2ALMNASMN1; SMN2

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 5 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-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 DNMT1 3820/4885BCHE 1280/4885ACHE 2119/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD DNMT1 3678/4885BCHE 1354/4885ACHE 2262/4885

“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.