Sugi Predict

Sugi Predict / Compounds / SCHEMBL6352946

SCHEMBL6352946

SCHEMBL6352946

CC(C)(CCSCCCSCCC(C)(C)C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ SLC15A1 P46059 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ABCC3 O15438 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ABCB11 O95342 1/20 0.35

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
SCHEMBL6344409 0.93 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPK1RAB9ATSHR
SCHEMBL6345166 0.90 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1RAB9ATSHR
SCHEMBL6701639 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1RAB9ATSHR
SCHEMBL6350515 0.88 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1RAB9ATSHR
SCHEMBL6344402 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1RAB9ATSHR
SCHEMBL8742579 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1TSHRSMN1; SMN2
SCHEMBL3286514 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1TSHRSMN1; SMN2
SCHEMBL6180729 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CDC25B
SCHEMBL6346285 0.79 CYP2C19 (0.46) ALDH1A1L3MBTL1MAPK1SMN1; SMN2CYP2C19
SCHEMBL6346006 0.79 ELANE (0.39) ALDH1A1L3MBTL1RAB9APPARALMNA

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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2002-06-20 — — US claimed
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 — — WO disclosed
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-20020077316-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, IAPP, STS ALDH1A1 2827/4885L3MBTL1 3636/4885MAPK1 1289/4885
US-20050020694-A1 Sulfide and disulfide compounds and compositions for cholesterol management and related uses GSS, STS, CBS ALDH1A1 2643/4885L3MBTL1 3599/4885MAPK1 1252/4885

“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.