Sugi Predict

Sugi Predict / Compounds / SCHEMBL6506686

SCHEMBL6506686

SCHEMBL6506686

CC(C)(CC[S+]([O-])Cc1ccc(C[S+]([O-])CCC(C)(C)C(=O)Oc2ccccc2)cc1)C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ PRTN3 P24158 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL6509256 0.89 ELANE (0.47) ELANEL3MBTL1MAPTTDP1ATM
SCHEMBL6508374 0.86 ELANE (0.44) ELANEL3MBTL1MAPTTDP1ATM
SCHEMBL7207381 0.84 ELANE (0.32) ELANEL3MBTL1MAPTTDP1ATM
SCHEMBL6533915 0.81 HRH3 (0.33) ELANEPRSS1CTSGCTRB1CMA1
SCHEMBL7202384 0.81 ELANE (0.44) ELANEL3MBTL1MAPTTDP1ATM
SCHEMBL6711509 0.79 PPARA (0.37) TDP1PPARAPPARG
SCHEMBL6510734 0.78 ELANE (0.38) ELANEL3MBTL1MAPTATMPPARA
SCHEMBL6257018 0.75 ELANE (0.71) ELANEL3MBTL1MAPTTDP1ATM
SCHEMBL3280317 0.73 ELANE (0.46) ELANEL3MBTL1MAPTTDP1ATM
SCHEMBL6256973 0.73 ELANE (0.46) ELANEL3MBTL1TDP1ATMPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-06-24 — — US claimed
US-6673780-B2 SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS ESPERION THERAPEUTICS, INC. 2004-01-06 — — US claimed
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-30 — — US claimed
WO-2005047236-A1 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-05-26 — — 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-20040122091-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ELANE 1545/4885L3MBTL1 2056/4885MAPT 304/4885
US-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB ELANE 1545/4885L3MBTL1 2056/4885MAPT 304/4885

“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.