SCHEMBL7880433

SCHEMBL7880433

O=C(O)c1ccc(F)c(O)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.57
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
HSD17B14 Q9BPX1 1/20 0.42
ACMSD Q8TDX5 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TTR P02766 2/20 0.40

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
SCHEMBL31455903 1.00 ALB (0.57) ALBCES2CES1SELLSELP
SCHEMBL13315472 0.84 ALB (0.65) ALBCES2CES1SELLSELP
SCHEMBL30410503 0.82 ALB (0.57) ALBCES2CES1SELLSELP
SCHEMBL1922498 0.82 ALB (0.57) ALBCES2CES1SELLSELP
SCHEMBL23501039 0.82 SELL (0.64) ALBSELLSELPAKR1C2AKR1C1
SCHEMBL241797 0.81 CES2 (0.70) ALBCES2CES1SELLSELP
SCHEMBL201107 0.80 DGAT1 (0.47) ALBCES2CES1KDM4ETSHR
SCHEMBL2601627 0.80 CES2 (0.45) ALBCES2CES1KDM4ESMN1; SMN2
SCHEMBL30548341 0.80 CYP1A2 (0.58) ALBCES2CES1SELLSELP
SCHEMBL1713540 0.80 CYP1A2 (0.58) ALBCES2CES1SELLSELP

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 EP disclosed
EP-2435402-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2016-04-13 EP disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 US disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
CN-101020628-A Preparation method of 2, 4-difluoro-3-hydroxybenzoic acid CHEN WEIDONG (CN) 2007-08-22 CN disclosed
CN-101020628-A Preparation method of 2, 4-difluoro-3-hydroxybenzoic acid CHEN WEIDONG (CN) 2007-08-22 CN disclosed
EP-0757028-B1 Process for the preparation of aromatic carbonic acid esters CLARIANT GMBH (DE) 1999-12-29 EP disclosed
US-5874608-A Process for the preparation of esters of aromatic carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5744628-A Process for the preparation of esters of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0811601-A1 Process for the preparation of aromatic carbonic acid esters Clariant GmbH (DE) 1997-12-10 EP disclosed
EP-0757028-A1 Process for the preparation of aromatic carbonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-05 EP 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 (3 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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE ALB 3916/4885CES2 2140/4885CES1 1107/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE ALB 3916/4885CES2 2140/4885CES1 1107/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE ALB 3916/4885CES2 2140/4885CES1 1107/4885

“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.