SCHEMBL2901152

SCHEMBL2901152

[CH2]CCCOC(=O)OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
EPHX1 P07099 3/20 0.40
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL4314580 0.98 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4307907 0.95 NAAA (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4312944 0.93 NAAA (0.38) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL4307836 0.91 NAAA (0.40) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL9034880 0.91 NAAA (0.30) NAAA
SCHEMBL1559459 0.89 EPHX1 (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL8579936 0.89 EPHX1 (0.42) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL5245472 0.87 EPHX1 (0.39) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL9035280 0.83 EPHX1 (0.35) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL451499 0.82 NAAA (0.56) NAAAEPHX1HTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3033078-A1 ADJUVANTS IN ANTI-CANCER CHEMOTHERAPY Jefford, Charles William (CH) 2016-06-22 EP disclosed
WO-2015022497-A1 ADJUVANTS IN ANTI-CANCER CHEMOTHERAPY JEFFORD CHARLES WILLIAM (CH) 2015-02-19 WO disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
EP-1919290-A2 METHODS AND PRODUCTS FOR TREATMENT OF DISEASES DMI Biosciences, Inc. (US) 2008-05-14 EP disclosed
EP-1898951-A1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER Daiichi Sankyo Company, Limited (JP) 2008-03-19 EP disclosed
WO-2007009087-A2 METHODS AND PRODUCTS FOR TREATMENT OF DISEASES DMI BIOSCIENCES, INC. (US) 2007-01-18 WO disclosed
WO-2007001067-A2 SOLID DOSAGE FORM COMPRISING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
WO-2007001065-A2 METHOD FOR THE PREPARATION OF A WET GRANULATED DRUG PRODUCT DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
WO-2007001066-A1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 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 (1 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 NAAA 171/4885EPHX1 3143/4885HTT 386/4885

“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.