Sugi Predict

Sugi Predict / Compounds / SCHEMBL3280424

SCHEMBL3280424

SCHEMBL3280424

CCC(C)OC(=O)C(C)(CCCCC(=O)CCCCC(C)(C(=O)O)c1ccc(CC(C)C)cc1)c1ccc(CC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.33
▸ PTGS1 P23219 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ NR1I3 Q14994 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ BLM P54132 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
SCHEMBL3280175 0.88 POLB (0.31) CYP2C9TSHR
SCHEMBL3279896 0.88 NPSR1 (0.37) LMNA
SCHEMBL3286264 0.88 PTGS1 (0.42) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL3279787 0.84 NPSR1 (0.38) LMNA
SCHEMBL3280416 0.82 PTGS2 (0.36) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL3333090 0.80 FAAH (0.37) —
SCHEMBL7152528 0.80 PTGS1 (0.39) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL5705409 0.76 EPHX2 (0.34) PTGS2TRPV1
SCHEMBL6205873 0.73 PTGS2 (0.36) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL30242220 0.72 PTGS1 (0.49) PTGS2PTGS1LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 — — US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 — — US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 — — US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 — — US disclosed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 — — US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 — — US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 — — US disclosed
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 — — US disclosed
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 — — US disclosed
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 — — US disclosed
EP-1564200-A1 Ketone compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2005-08-17 — — EP disclosed
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-10-07 — — US disclosed
US-6699910-B2 TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, AND GLUCOSE METABOLISM AS HYPOGLYCEMIC AGENTS, USE TO REDUCE THE FAT CONTENT OF MEAT IN LIVESTOCK AND REDUCE THE CHOLESTEROL CONTENT OF EGGS ESPERION THERAPEUTICS, INC. 2004-03-02 — — US disclosed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 — — 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 (7 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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP PTGS2 1598/4885PTGS1 840/4885LMNA 2381/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 PTGS2 1802/4885PTGS1 981/4885LMNA 2334/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 PTGS2 1802/4885PTGS1 981/4885LMNA 2334/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PTGS2 1802/4885PTGS1 981/4885LMNA 2334/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 PTGS2 1802/4885PTGS1 981/4885LMNA 2334/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PTGS2 1802/4885PTGS1 981/4885LMNA 2334/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 PTGS2 1802/4885PTGS1 981/4885LMNA 2334/4885

“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.