Sugi Predict

Sugi Predict / Compounds / SCHEMBL5531453

SCHEMBL5531453

SCHEMBL5531453

CC(C)(CCCCCOCCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.59
▸ ACACB O00763 1/20 0.57
▸ ACACA Q13085 1/20 0.57
▸ PPARA Q07869 6/20 0.45
▸ LTB4R Q15722 3/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ CYP4F2 P78329 4/20 0.43
▸ CYP4A11 Q02928 4/20 0.43
▸ TTR P02766 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5524941 1.00 ACLY (0.59) ACLYACACBACACAPPARALTB4R
SCHEMBL14269711 1.00 ACLY (0.59) ACLYACACBACACAPPARALTB4R
SCHEMBL5521484 0.98 ACLY (0.57) ACLYACACBACACAPPARALTB4R
Gemcabene SCHEMBL761631 0.98 ACLY (0.55) ACLYACACBACACAPPARALTB4R
SCHEMBL6258161 0.96 ACLY (0.53) ACLYACACBACACAPPARALTB4R
Gemcabene SCHEMBL528316 0.96 ACLY (0.53) ACLYACACBACACAPPARALTB4R
Gemcabene SCHEMBL4184554 0.96 ACLY (0.53) ACLYACACBACACAPPARALTB4R
SCHEMBL6267270 0.94 ACLY (0.52) ACLYACACBACACAPPARALTB4R
SCHEMBL13210381 0.92 ACLY (0.50) ACLYACACBACACAPPARALTB4R
SCHEMBL5528996 0.91 ACLY (0.52) ACLYACACBACACAPPARALTB4R

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820428-B1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER LAMBERT CO (US) 2000-05-10 — — EP claimed
US-5756544-A ADMINISTERING TO LOWER LEVELS OF LOW DENSITY LIPOPROTEINS AND TO RAISE THE LEVELS OF HIGH DENSITY LIPOPROTEINS WARNER-LAMBERT COMPANY (US) 1998-05-26 — — US claimed
US-10449154-B2 Treatment of NASH with Gemcabene GEMPHIRE THERAPEUTICS INC. (US) 2019-10-22 — — US disclosed
WO-2018165120-A1 EFFECT OF CARBOXYALKYLETHERS ON OBESITY SYMPTOMS AND LIPODYSTROPY GEMPHIRE THERAPEUTICS INC. (US) 2018-09-13 — — WO disclosed
US-20180133177-A1 Treatment of NASH with Gemcabene NEUROBO PHARMACEUTICALS, INC. 2018-05-17 — — US disclosed
US-20180133177-A1 Treatment of NASH with Gemcabene NEUROBO PHARMACEUTICALS, INC. 2018-05-17 — — US disclosed
US-9849104-B2 Treatment of NASH with gemcabene GEMPHIRE THERAPEUTICS INC. (US) 2017-12-26 — — US disclosed
US-9849104-B2 Treatment of NASH with gemcabene GEMPHIRE THERAPEUTICS INC. (US) 2017-12-26 — — US disclosed
EP-3218349-A2 PROCESSES AND INTERMEDIATES FOR PREPARING , -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS Gemphire Therapeutics Inc. (US) 2017-09-20 — — EP disclosed
US-20170172954-A1 Treatment of NASH with Gemcabene NEUROBO PHARMACEUTICALS, INC. 2017-06-22 — — US disclosed
US-20170172954-A1 Treatment of NASH with Gemcabene NEUROBO PHARMACEUTICALS, INC. 2017-06-22 — — US disclosed
WO-2004045596-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION WARNER-LAMBERT COMPANY LLC (US) 2004-06-03 — — WO disclosed
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain WARNER-LAMBERT COMPANY 2004-03-11 — — US disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 — — WO disclosed
EP-0820428-B1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER LAMBERT CO (US) 2000-05-10 — — EP disclosed
US-5783600-A FOR ELEVATING HDL CHOLESTEROL; ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY (US) 1998-07-21 — — US disclosed
US-5750569-A LOWERING PLASMA LIPIDS WARNER-LAMBERT COMPANY (US) 1998-05-12 — — US disclosed
EP-0820428-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1998-01-28 — — EP disclosed
US-5648387-A Carboxyalkylethers, formulations, and treatment of vascular diseases WARNER-LAMBERT COMPANY (US) 1997-07-15 — — US disclosed
WO-1996030328-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1996-10-03 — — 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 (4 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-10449154-B2 Treatment of NASH with Gemcabene APOB, TGFB2, TGFB1 ACLY 1523/4885ACACB 21/4885ACACA 84/4885
US-20180133177-A1 Treatment of NASH with Gemcabene APOB, TGFB2, TGFB1 ACLY 1523/4885ACACB 21/4885ACACA 84/4885
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain TLR5, SSB, TLR4 ACLY 3034/4885ACACB 2221/4885ACACA 1120/4885
US-20170172954-A1 Treatment of NASH with Gemcabene APOB, TGFB2, TGFB1 ACLY 1523/4885ACACB 21/4885ACACA 84/4885

“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.