SCHEMBL2844700

SCHEMBL2844700

CCCC[C@](CC)(CO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
AKR1B1 P15121 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 1/20 0.33
PDE4A P27815 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
SCHEMBL1244843 1.00 CYP4F2 (0.40) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL12196374 1.00 CYP4F2 (0.40) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL608116 0.92 CYP4F2 (0.42) CYP4F2CYP4A11GPR84PPARGPPARD
SCHEMBL28956794 0.92 CYP4F2 (0.42) CYP4F2CYP4A11GPR84PPARGPPARD
SCHEMBL350668 0.91 AKR1B1 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL6756944 0.91 AKR1B1 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28125208 0.89 CYP4F2 (0.39) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL120634 0.89 CYP4F2 (0.39) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL392507 0.89 CYP4F2 (0.39) CYP4F2CYP4A11AKR1B1GPR84PPARG
Ethylene Glycol SCHEMBL500121 0.87 CYP4F2 (0.44) CYP4F2CYP4A11AKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461312-B2 Method for the production of 1,4-benzothiepin-1,1-dioxide derivatives SANOFI (FR) 2013-06-11 US disclosed
US-8461312-B2 Method for the production of 1,4-benzothiepin-1,1-dioxide derivatives SANOFI (FR) 2013-06-11 US disclosed
US-20110245486-A1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-10-06 US disclosed
US-20110245486-A1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-10-06 US disclosed
US-20100160670-A1 NOVEL PROCESS FOR THE PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS AND INTERMEDIATES USED IN THE SYNTHESIS OF CHIRAL-2-(BROMOMETHYL)-2-ETHYLHEXANOIC ACID AVENTIS PHARMA S.A. (FR) 2010-06-24 US disclosed
WO-2009132832-A2 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-11-05 WO disclosed
US-20090163737-A1 NOVEL PROCESS FOR THE PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS AND INTERMEDIATES USED IN THE SYNTHESIS OF CHIRAL 2-(BROMOMETHYL)-2-ETHYLHEXANOIC ACID AVENTIS PHARMA S.A. (FR) 2009-06-25 US disclosed
US-20080108847-A1 NOVEL PROCESS FOR THE PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS AND INTERMEDIATES USED IN THE SYNTHESIS OF CHIRAL2-(BROMOMETHYL)-2-ETHYLHEXANOIC ACID AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-20040147774-A1 Novel chiral compounds derived from hexanoic acid esters, preparation process and intermediates, use in the synthesis of chiral 2-(bromomethyl)-2-ethylhexanoic acid AVENTIS PHARMA S.A. (FR) 2004-07-29 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 (5 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-20110245486-A1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES BBOX1, SULT1E1, PTGS1 CYP4F2 202/4885CYP4A11 47/4885AKR1B1 1726/4885
US-20080108847-A1 NOVEL PROCESS FOR THE PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS AND INTERMEDIATES USED IN THE SYNTHESIS OF CHIRAL2-(BROMOMETHYL)-2-ETHYLHEXANOIC ACID HCAR2, HCAR3, HCAR1 CYP4F2 113/4885CYP4A11 58/4885AKR1B1 206/4885
US-20090163737-A1 NOVEL PROCESS FOR THE PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS AND INTERMEDIATES USED IN THE SYNTHESIS OF CHIRAL 2-(BROMOMETHYL)-2-ETHYLHEXANOIC ACID HCAR3, HCAR2, HCAR1 CYP4F2 211/4885CYP4A11 39/4885AKR1B1 174/4885
US-20040147774-A1 Novel chiral compounds derived from hexanoic acid esters, preparation process and intermediates, use in the synthesis of chiral 2-(bromomethyl)-2-ethylhexanoic acid HCAR2, FFAR2, HCAR3 CYP4F2 327/4885CYP4A11 97/4885AKR1B1 286/4885
US-20100160670-A1 NOVEL PROCESS FOR THE PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS AND INTERMEDIATES USED IN THE SYNTHESIS OF CHIRAL-2-(BROMOMETHYL)-2-ETHYLHEXANOIC ACID HCAR2, HCAR3, HCAR1 CYP4F2 164/4885CYP4A11 39/4885AKR1B1 172/4885

“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.