Sugi Predict

Sugi Predict / Compounds / SCHEMBL1702873

SCHEMBL1702873

SCHEMBL1702873

CCC(C)OC(=O)C(CCCCCCBr)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.42
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LCK P06239 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ACE2 Q9BYF1 1/20 0.34
▸ GPR84 Q9NQS5 3/20 0.33
▸ ZDHHC7 Q9NXF8 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 2/20 0.32

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
SCHEMBL4089567 1.00 FAAH (0.42) FAAHCNR1CNR2LCKPPARD
SCHEMBL1703441 1.00 FAAH (0.42) FAAHCNR1CNR2LCKPPARD
SCHEMBL5849651 0.87 FAAH (0.51) FAAHCNR1CNR2LCKPPARD
SCHEMBL6080210 0.84 FAAH (0.39) FAAHCNR1CNR2LCKPPARD
SCHEMBL6910766 0.83 CA2 (0.47) FAAHLCKPPARDZDHHC20ZDHHC2
SCHEMBL11656298 0.81 MAPT (0.35) FAAHMAPTACE2
SCHEMBL2224240 0.80 MAPT (0.37) FAAHMAPT
SCHEMBL550001 0.80 TDP1 (0.45) LCKPPARDZDHHC20ZDHHC2MAPT
SCHEMBL27877640 0.80 TDP1 (0.45) LCKPPARDZDHHC20ZDHHC2MAPT
SCHEMBL27901349 0.80 TDP1 (0.45) LCKPPARDZDHHC20ZDHHC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087623-A Synthesis method of 8-bromoethyl octanoate 苏州昊帆生物股份有限公司 2021-07-09 — — CN claimed
CN-113087623-A Synthesis method of 8-bromoethyl octanoate 苏州昊帆生物股份有限公司 2021-07-09 — — CN disclosed
EP-1448509-B1 Method of preparing phenoxy alkanoic acids and salts thereof via a dicarboxylate intermediate EMISPHERE TECH INC (US) 2012-12-19 — — EP disclosed
EP-1284724-B1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECH INC (US) 2012-04-18 — — EP disclosed
US-7411084-B2 Method of preparing phenoxy alkanoic, alkenoic, and alkynoic acids and salts thereof via a dicarboxylate intermediate EMISPHERE TECHNOLOGIES, INC. (US) 2008-08-12 — — US disclosed
EP-1284724-A4 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECH INC (US) 2007-10-17 — — EP disclosed
US-7262325-B2 Method of preparing salicylamides EMISPHERE TECHNOLOGIES, INC. (US) 2007-08-28 — — US disclosed
US-7169776-B2 Method of preparing alkylated salicylamides via a dicarboxylate intermediate EMISPHERE TECHNOLOGIES, INC. (US) 2007-01-30 — — US disclosed
US-20060084646-A1 Method of preparing alkylated salicylamides via a dicarboxylate intermediate EMISPHERE TECHNOLOGIES, INC. (US) 2006-04-20 — — US disclosed
EP-1448509-A4 METHOD OF PREPARING PHENOXY ALKANOIC, ALKENOIC, AND ALKYNOIC ACIDS AND SALTS THEREOF VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECH INC (US) 2006-02-08 — — EP disclosed
US-6900344-B2 Method of preparing alkylated salicylamides via a dicarboxylate intermediate EMISPHERE TECHNOLOGIES, INC. (US) 2005-05-31 — — US disclosed
US-20040171865-A1 Method of preparing phenoxy alkanoic, alkenoic, and alkynoic acids and salts thereof via a dicarboxylate intermediate NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2004-09-02 — — US disclosed
EP-1448509-A2 METHOD OF PREPARING PHENOXY ALKANOIC, ALKENOIC, AND ALKYNOIC ACIDS AND SALTS THEREOF VIA A DICARBOXYLATE INTERMEDIATE Emisphere Technologies, Inc. (US) 2004-08-25 — — EP disclosed
US-20030216593-A1 Method of preparing salicylamides NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-11-20 — — US disclosed
US-20030096992-A1 Method of preparing alkylated salicylamides via a dicarboxylate intermediate NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-05-22 — — US disclosed
WO-2003026582-A2 METHOD OF PREPARING PHENOXY ALKANOIC, ALKENOIC, AND ALKYNOIC ACIDS AND SALTS THEREOF VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECHNOLOGIES INC. (US) 2003-04-03 — — WO disclosed
EP-1284724-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE Emisphere Technologies, Inc. (US) 2003-02-26 — — EP disclosed
WO-2001092206-A1 METHOD OF PREPARING SALICYLAMIDES EMISPHERE TECHNOLOGIES, INC. (US) 2001-12-06 — — WO disclosed
WO-2001070219-A1 METHOD OF PREPARING ALKYLATED SALICYLAMIDES VIA A DICARBOXYLATE INTERMEDIATE EMISPHERE TECHNOLOGIES, INC. (US) 2001-09-27 — — 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-20040171865-A1 Method of preparing phenoxy alkanoic, alkenoic, and alkynoic acids and salts thereof via a dicarboxylate intermediate ALK, APEH, ALKBH3 FAAH 262/4885CNR1 1286/4885CNR2 1034/4885
US-20060084646-A1 Method of preparing alkylated salicylamides via a dicarboxylate intermediate ADSL, AADAC, SLC16A7 FAAH 764/4885CNR1 2085/4885CNR2 1606/4885
US-20030096992-A1 Method of preparing alkylated salicylamides via a dicarboxylate intermediate ADSL, AADAC, SLC16A7 FAAH 764/4885CNR1 2085/4885CNR2 1606/4885
US-20030216593-A1 Method of preparing salicylamides SCLY, ADSL, SIK3 FAAH 901/4885CNR1 473/4885CNR2 189/4885

“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.