SCHEMBL4068539

SCHEMBL4068539

O=C(O)C(C(=O)O)c1c(F)cc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.41
CES1 P23141 9/20 0.41
ERN1 O75460 1/20 0.39
SRC P12931 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7965444 0.87 CES2 (0.36) CES2CES1ERN1SRCHCAR1
SCHEMBL6029780 0.81 HTT (0.41) CYP2C19HTTRAB9A
SCHEMBL7950440 0.79 GRM2 (0.36) CES2CES1SRCHCAR1
SCHEMBL16996749 0.79 CES2 (0.40) CES2CES1ERN1HCAR1HTT
SCHEMBL1462346 0.77 PTGS2 (0.44) ALDH1A1CYP2C19HTTRAB9A
SCHEMBL5250437 0.76 CES2 (0.50) CES2CES1SRCALDH1A1SMN1; SMN2
SCHEMBL6452270 0.76 CES2 (0.53) CES2CES1ERN1SRCHCAR1
SCHEMBL14746583 0.76 CYP3A4 (0.40) ALDH1A1HTTSMN1; SMN2
SCHEMBL4074821 0.75 MAPT (0.39)
SCHEMBL3686370 0.74 MAPK1 (0.36) CES2CES1ERN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903436-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES UNIV PENNSYLVANIA (US) 2019-07-17 EP disclosed
EP-3219207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2017-09-20 EP disclosed
US-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
EP-2903436-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2015-08-12 EP disclosed
WO-2014047257-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-27 WO disclosed
US-7501423-B2 Tubulin inhibitor and process for its preparation WYETH (US) 2009-03-10 US disclosed
US-7396835-B2 Process for the preparation of tubulin inhibitors WYETH (US) 2008-07-08 US disclosed
EP-1891052-A1 TUBULIN INHIBITOR AND PROCESS FOR ITS PREPARATION Wyeth (US) 2008-02-27 EP disclosed
EP-1343787-B1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AG (DE) 2004-11-10 EP disclosed
EP-1431299-A1 IMIDAZO(1,2-a)PYRIMIDINES AND FUNGICIDE COMPOSITIONS CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-23 EP disclosed
WO-2004046149-A1 2-MERCAPTO-SUBSTITUTED TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, THE USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-06-03 WO disclosed
US-6730680-B2 FUNGICIDES FOR CONTROLLING PHYTOPATHOGENIC FUNGI; AGRICULTURE, PLANT DISEASES BASF AKTIENGESELLSCHAFT (DE) 2004-05-04 US disclosed
EP-1343787-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
US-20030158190-A1 6-phenyl-pyrazolopyrimidines PEES KLAUS JUERGEN (DE) 2003-08-21 US disclosed
US-6552026-B2 Fungicides BASF AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
WO-2002048151-A1 6-PHENYL-PYRAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
US-20020049318-A1 6-phenyl-pyrazolopyrimidines BASF CORPORATION (US) 2002-04-25 US disclosed
US-6156925-A Process for the preparation of halogenated phenylmaloates AMERICAN CYANAMID COMPANY (US) 2000-12-05 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 (4 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 CES2 3163/4885CES1 4382/4885ERN1 2544/4885
US-20030158190-A1 6-phenyl-pyrazolopyrimidines CBR1, CBR3, CNPY2 CES2 3526/4885CES1 3216/4885ERN1 494/4885
US-20020049318-A1 6-phenyl-pyrazolopyrimidines CBR1, CBR3, CNPY2 CES2 3526/4885CES1 3216/4885ERN1 494/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 CES2 4112/4885CES1 4801/4885ERN1 4219/4885

“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.