SCHEMBL3950221

SCHEMBL3950221

CC(C)(C)Oc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.52
PTGS2 P35354 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
ALOX5 P09917 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
PKM P14618 1/20 0.47
MCL1 Q07820 5/20 0.47
KDR P35968 2/20 0.47

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
SCHEMBL9304670 0.85 MCL1 (0.48) KMT2AMCL1
SCHEMBL9677329 0.84 MEN1 (0.49) CSNK2A1PTGS2CA1CA2CA12
SCHEMBL20628874 0.83 CA12 (0.59) PTGS2CA1CA2CA12CA7
SCHEMBL9304682 0.83 KDM4E (0.39) CSNK2A1PTGS2CA1CA2CA12
SCHEMBL1505143 0.82 AKR1C2 (0.52) CSNK2A1PTGS2CA1CA2CA12
SCHEMBL28370258 0.82 POLB (0.43) KDM4EHSD17B10POLBMCL1ALDH1A1
SCHEMBL5158868 0.82 AKR1C2 (0.52) CSNK2A1PTGS2CA1CA2CA12
SCHEMBL128781 0.79 CA1 (0.61) CSNK2A1PTGS2CA1CA2CA12
SCHEMBL29431885 0.79 CA1 (0.61) CSNK2A1PTGS2CA1CA2CA12
SCHEMBL29952914 0.79 SMN1; SMN2 (0.41) MEN1KMT2AKDM4EHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551793-B1 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME AMKOR PHARMA INC (US) 2016-01-20 EP disclosed
US-7511074-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2009-03-31 US disclosed
US-20080227859-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2008-09-18 US disclosed
US-7371896-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2008-05-13 US disclosed
US-7319160-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same AMKOR PHARMA, INC. (US) 2008-01-15 US disclosed
US-20070078183-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2007-04-05 US disclosed
EP-1551793-A4 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME NEUROTECH CO LTD (KR) 2007-04-04 EP disclosed
US-7189878-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2007-03-13 US disclosed
US-20060235239-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2006-10-19 US disclosed
US-20050239896-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD 2005-10-27 US disclosed
US-6927303-B2 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH CO., LTD. (KR) 2005-08-09 US disclosed
EP-1551793-A1 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME Neurotech Co., Ltd. (KR) 2005-07-13 EP disclosed
US-20040209957-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2004-10-21 US disclosed
WO-2004000786-A1 TETRAFLUOROBENZYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ACUTE AND CHRONIC NEURODEGENERATIVE DISEASES IN CENTRAL NERVOUS SYSTEM CONTAINING THE SAME NEUROTECH CO., LTD. (KR) 2003-12-31 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 (5 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-20070078183-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP CSNK2A1 2866/4885PTGS2 466/4885CA1 370/4885
US-20080227859-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP CSNK2A1 2866/4885PTGS2 466/4885CA1 370/4885
US-20050239896-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP CSNK2A1 2866/4885PTGS2 466/4885CA1 370/4885
US-20060235239-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP CSNK2A1 2866/4885PTGS2 466/4885CA1 370/4885
US-20040209957-A1 Tetrafluorobenzyl derivatives and pharmaceutical composition for preventing and treating acute and chronic neurodegenerative diseases in central nervous system containing the same HTT, BDNF, APP CSNK2A1 2866/4885PTGS2 466/4885CA1 370/4885

“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.