SCHEMBL348478

SCHEMBL348478

CCCCC(=O)OC(C)(C)N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
DGKA P23743 1/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
PAM P19021 2/20 0.38
CA1 P00915 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36

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
SCHEMBL1960961 0.92 DGKA (0.53) CES1CES2DGKALMNAALDH1A1
SCHEMBL11558967 0.92 DGKA (0.53) CES1CES2DGKALMNAALDH1A1
SCHEMBL4653622 0.92 DGKA (0.53) CES1CES2DGKALMNAALDH1A1
SCHEMBL1962326 0.92 DGKA (0.53) CES1CES2DGKALMNAALDH1A1
SCHEMBL21571495 0.92 DGKA (0.53) CES1CES2DGKALMNAALDH1A1
SCHEMBL29101740 0.92 DGKA (0.53) CES1CES2DGKALMNAALDH1A1
Hydrochloric Acid SCHEMBL29219017 0.90 DGKA (0.52) CES1CES2DGKALMNAALDH1A1
SCHEMBL3340147 0.90 DGKA (0.52) CES1CES2DGKALMNAALDH1A1
Hydrazine SCHEMBL27464055 0.83 CES1 (0.42) CES1CES2DGKALMNAALDH1A1
SCHEMBL28005812 0.82 FAAH (0.59) LMNATP53CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
EP-0880575-A1 MACHINING FLUID COMPOSITION AND METHOD OF MACHINING CINCINNATI MILACRON INC. (US) 1998-12-02 EP disclosed
WO-1998013444-A1 MACHINING FLUID COMPOSITION AND METHOD OF MACHINING CINCINNATI MILACRON INC. (US) 1998-04-02 WO disclosed
US-5716917-A AQUEOUS MIXTURE CONTAINING NATURAL ORGANIC LUBRICANT, SURFACTANTS AND WATER SOLUBLE CATIONIC MICROBIOCIDE CINCINNATI MILACRON INC. (US) 1998-02-10 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-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 CES1 9/4885CES2 258/4885DGKA 2431/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 CES1 3/4885CES2 249/4885DGKA 3248/4885

“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.