SCHEMBL5493739

SCHEMBL5493739

O=C(OC1CCCCC1)C1(C(=O)OC2CCCCC2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
EPHX1 P07099 2/20 0.44
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 1/20 0.39
NAAA Q02083 2/20 0.38
HTT P42858 1/20 0.37
CYP19A1 P11511 3/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
HSD11B1 P28845 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9485096 1.00 CYP2C19 (0.52) CYP2C19EPHX1CA12CA1CA2
SCHEMBL16086274 0.96 CYP2C19 (0.47) CYP2C19EPHX1CA12CA1CA2
SCHEMBL16086282 0.93 CYP2C19 (0.48) CYP2C19EPHX1CA12CA1CA2
SCHEMBL16086650 0.90 CYP2C19 (0.47) CYP2C19EPHX1CA12CA1CA2
SCHEMBL16086398 0.90 CYP2C19 (0.47) CYP2C19EPHX1CA12CA1CA2
SCHEMBL26939777 0.88 CYP2C19 (0.44) CYP2C19EPHX1CA12CA1CA2
SCHEMBL16086275 0.86 CYP2C19 (0.43) CYP2C19EPHX1CA12CA1CA2
SCHEMBL26939776 0.83 CYP2C19 (0.41) CYP2C19EPHX1CHRM3MAPTNAAA
SCHEMBL16086283 0.83 CYP2C19 (0.44) CYP2C19EPHX1CA12CA1CA2
SCHEMBL1660666 0.82 CYP2C19 (0.43) CYP2C19EPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
EP-1642901-B1 Novel erythromycin derivatives PFIZER PROD INC (US) 2007-10-31 EP disclosed
EP-1642901-A1 Novel erythromycin derivatives Pfizer Products Inc. (US) 2006-04-05 EP disclosed
US-7015203-B2 Erythromycin analogs and azalides, particularly ones with novel C-13 substituents; for treating bacterial and protozoa infections PFIZER INC. (US) 2006-03-21 US disclosed
EP-1602727-A2 Novel erythromycins and process for their preparation Biotica Technology Limited (GB) 2005-12-07 EP disclosed
EP-0909327-B1 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION BIOTICA TECH LTD (GB) 2005-06-01 EP disclosed
US-6825171-B2 MACROLIDE ANTIBIOTIC USEFUL IN THE TREATMENT OF A BROAD SPRECTRUM OF BACTERIAL INFECTIONS AND PROTOZOA INFECTIONS PFIZER, INC. 2004-11-30 US disclosed
US-20040092459-A1 Novel macrolides PFIZER INC. 2004-05-13 US disclosed
US-20040067897-A1 Novel erythromycin derivatives PFIZER INC. 2004-04-08 US disclosed
US-6472371-B1 Macrolides PFIZER, INC. 2002-10-29 US disclosed
US-6437151-B2 FERMENTATION; CULTURE PRODUCT BIOTICA TECHNOLOGY LIMITED (GB) 2002-08-20 US disclosed
US-20020004487-A1 Novel erythromycins and process for their preparation BIOTICA TECHNOLOGY LIMITED (GB) 2002-01-10 US disclosed
US-20010016598-A1 Fermenting suitable organisms such as saccharopolyspora erythraea in the presence of a carboxylic acid LEADLAY PETER FRANCIS (GB) 2001-08-23 US disclosed
US-6271255-B1 USEFUL AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS IN INFECTIONS IN MAMMALS, FISH, AND BIRDS BIOTICA TECHNOLOGY LIMITED (GB) 2001-08-07 US disclosed
EP-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP disclosed
EP-1044207-A1 NOVEL MACROLIDES Pfizer Products Inc. (US) 2000-10-18 EP disclosed
WO-1999035156-A1 NOVEL MACROLIDES PFIZER PRODUCTS INC. (US) 1999-07-15 WO disclosed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 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-20020004487-A1 Novel erythromycins and process for their preparation MRPL21, RPL13, RPS3A CYP2C19 216/4885EPHX1 2719/4885CA12 3781/4885
US-20040067897-A1 Novel erythromycin derivatives GIPR, MLNR, PGC CYP2C19 270/4885EPHX1 1186/4885CA12 4241/4885
US-20010016598-A1 Fermenting suitable organisms such as saccharopolyspora erythraea in the presence of a carboxylic acid COASY, RPL13, DCXR CYP2C19 454/4885EPHX1 2513/4885CA12 1489/4885
US-20040092459-A1 Novel macrolides CYP51A1, RPS12, AZI2 CYP2C19 310/4885EPHX1 1316/4885CA12 2625/4885

“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.