SCHEMBL6345298

SCHEMBL6345298

CC(C)(CCSCc1ccc(CSCCC(C)(C)OP(=O)(O)O)cc1)OP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
ALPG P10696 2/20 0.38
HTT P42858 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.32
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL6754747 0.93 LMNA (0.35) LMNAALPGHTTS1PR2S1PR4
SCHEMBL6346076 0.81 SMPD1 (0.36)
SCHEMBL6518662 0.78 SMPD1 (0.38) S1PR2S1PR4S1PR1S1PR3
SCHEMBL6344406 0.77 CA2 (0.43) S1PR2S1PR4S1PR1S1PR3SMN1; SMN2
SCHEMBL6257901 0.72 PTPN2 (0.46) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL5362490 0.71 S1PR2 (0.38) LMNAS1PR2S1PR4S1PR1S1PR3
SCHEMBL7149657 0.71 CA2 (0.38) S1PR2S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL6354681 0.70 SMPD1 (0.42) S1PR2S1PR4S1PR1S1PR3
SCHEMBL6356292 0.70 SMPD1 (0.38) S1PR2S1PR4S1PR1S1PR3
SCHEMBL13053745 0.70 S1PR1 (0.37) S1PR2S1PR4S1PR1S1PR3RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-01-27 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-20030022865-A1 Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol management and related uses NR1H2, NR1H3, APOB LMNA 3498/4885ALPG 694/4885HTT 1106/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS LMNA 4658/4885ALPG 754/4885HTT 2020/4885

“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.