SCHEMBL813505

SCHEMBL813505

CC(=O)OC[C@H]1O[C@@H](F)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TSHR P16473 1/20 0.57
▸ NR3C1 P04150 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ CA2 P00918 13/20 0.56
▸ CA12 O43570 12/20 0.56
▸ CA1 P00915 12/20 0.56
▸ CA9 Q16790 7/20 0.56
▸ PKM P14618 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ CA4 P22748 7/20 0.49
▸ CA5A P35218 7/20 0.49
▸ CA7 P43166 7/20 0.49

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
SCHEMBL7935847 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL2215629 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL8579675 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL8028101 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL16731431 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL2037245 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL17993795 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL21021147 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL20820941 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL7903998 1.00 CYP2D6 (0.58) CYP2D6THRBHSD17B10TSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 — — US disclosed
US-7892518-B2 fluorinating a specific position of a saccharide substrate selectively without affecting a protective group at a temperature within a wide range safely and easily with N, N-diethyl-alpha, alpha-difluoro(3-methyl)benzylamine a fluorinating agent under irradiation with microwave or electromagnetic wave MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-02-22 — — US disclosed
EP-2189467-A2 Method of fluorination by microwaves Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 — — EP disclosed
EP-2189466-A2 METHOD OF FLUORINATION BY MICROWAVES Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 — — EP disclosed
US-7541341-B2 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 — — US disclosed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 — — US disclosed
US-7465712-B2 Glucopyranosyloxy benzylbenzene derivatives, medicinal compositions containing the same and intermediates for the preparation of the derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-16 — — US disclosed
US-20080154064-A1 Method of fluorination HARA SHOJI 2008-06-26 — — US disclosed
US-7351863-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-01 — — US disclosed
US-7129381-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-10-31 — — US disclosed
US-5789580-A Selectively fluorinated organic compounds BRITISH NUCLEAR FUELS PLC (GB) 1998-08-04 — — US disclosed
EP-0829104-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1998-03-18 — — EP disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 — — EP disclosed
EP-0730566-A1 SELECTIVELY FLUORINATED ORGANIC COMPOUNDS BNFL FLUOROCHEMICALS LTD. (GB) 1996-09-11 — — EP disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 — — EP disclosed
WO-1996003357-A1 SELECTIVELY FLUORINATED ORGANIC COMPOUNDS BNFL FLUOROCHEMICALS LTD. (GB) 1996-02-08 — — WO disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 — — WO disclosed
US-4751291-A Process for the preparation of glycosyl fluorides protected on the oxygen HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-14 — — US disclosed
US-4749785-A REACTING PROTECTED HEXOPYRANOSYL FLUORIDE WITH AGLYCON OR SILYL ETHER THEREOF IN PRESENCE OF METAL FLUORIDE HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-07 — — US disclosed
EP-0215376-A2 Method for the preparation of O-protected glycosyl fluorides HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-25 — — 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 (2 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-20080154064-A1 Method of fluorination FUCA2, FABP2, FGB CYP2D6 3653/4885THRB 3658/4885HSD17B10 1408/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB CYP2D6 3653/4885THRB 3658/4885HSD17B10 1408/4885

“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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