SCHEMBL247169

SCHEMBL247169

O=C(OO)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL776289 0.81 CES2 (0.40) CES2CES1MAPK1TSHRESR1
SCHEMBL1029288 0.81 CES2 (0.40) CES2CES1MAPK1TSHRESR1
SCHEMBL1719721 0.77 TSHR (0.59) CES2CES1MAPK1TSHRESR1
SCHEMBL16322420 0.75 MAPK1 (0.38) CES2CES1MAPK1TSHRESR1
SCHEMBL4582621 0.75 ESR1 (0.57) CES2CES1MAPK1TSHRESR1
SCHEMBL7198377 0.75 TSHR (0.57) CES2CES1MAPK1TSHRESR1
SCHEMBL29774130 0.75 CES2 (0.41) CES2CES1MAPK1TSHRESR1
Alcohol SCHEMBL28160506 0.73 SMN1; SMN2 (0.50) MAPK1TSHRESR1HTTCA1
SCHEMBL522175 0.73 TSHR (0.61) MAPK1TSHRESR1HTTCA1
SCHEMBL28334716 0.73 CES2 (0.39) CES2CES1MAPK1TSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 — — US claimed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 — — US claimed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 — — US claimed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 — — WO claimed
US-20230145397-A1 ION-CONDUCTIVE POLYMERIC MATERIALS AS ELECTROLYTES FOR FUEL CELLS ENERGAO, INC. 2023-05-11 — — US disclosed
WO-2021194588-A1 ION-CONDUCTIVE POLYMERIC MATERIALS AS ELECTROLYTES FOR FUEL CELLS ENERGAO, INC. (US) 2021-09-30 — — WO disclosed
EP-2588502-B1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION NOURYON CHEMICALS INT BV (NL) 2021-03-31 — — EP disclosed
EP-2400515-B1 PROCESS FOR MANUFACTURING ELECTRET, AND ELECTROSTATIC INDUCTION-TYPE CONVERSION ELEMENT ASAHI GLASS CO LTD (JP) 2018-01-24 — — EP disclosed
EP-2400516-B1 PROCESS FOR MANUFACTURING ELECTRET, AND ELECTROSTATIC INDUCTION-TYPE CONVERSION ELEMENT ASAHI GLASS CO LTD (JP) 2016-06-08 — — EP disclosed
US-9353057-B2 Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT, INC. (US) 2016-05-31 — — US disclosed
EP-2250143-B1 METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES XENOPORT INC (US) 2016-04-20 — — EP disclosed
US-8987391-B2 Polymerization process with in-situ initiator formation AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-03-24 — — US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 — — EP disclosed
EP-0802187-A1 Hydroxypyridine derivatives, their production and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-22 — — EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 — — EP disclosed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 — — US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 — — EP disclosed
US-4008175-A Organic acid anhydride-peroxydicarbonate composition PPG INDUSTRIES, INC. (US) 1977-02-15 — — US disclosed
US-3985720-A Polymerization of ethylenically unsaturated monomer employing a catalyst system comprising dialkylpyrocarbonate, organic acid anhydride, alkaline reagent and H2 O2 PPG INDUSTRIES, INC. (US) 1976-10-12 — — US disclosed
US-3978032-A ALKALINE BUFFER, ANHYDRIDE, PERACID, ALKYL HALOFORMATE PPG INDUSTRIES, INC. (US) 1976-08-31 — — 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 (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-20230145397-A1 ION-CONDUCTIVE POLYMERIC MATERIALS AS ELECTROLYTES FOR FUEL CELLS PFKFB3, PFKFB2, PFKFB4 CES2 582/4885CES1 2027/4885MAPK1 1095/4885
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 CES2 14/4885CES1 56/4885MAPK1 2961/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 CES2 14/4885CES1 56/4885MAPK1 2961/4885

“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.

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