SCHEMBL513847

SCHEMBL513847

[CH2]Oc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD11B1 P28845 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
MAOB P27338 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1685381 0.80 LTA4H (0.46) PPARGRXRARXRBRXRGIDO1
SCHEMBL10922032 0.79 PPARG (0.40) PPARGRXRARXRBRXRGIDO1
SCHEMBL11048002 0.78 LTA4H (0.45) PPARGRXRARXRBRXRGIDO1
SCHEMBL9242571 0.78 HSD11B1 (0.53) PPARGRXRARXRBRXRGIDO1
SCHEMBL30006905 0.77 PPARG (0.42) PPARGRXRARXRBRXRGIDO1
SCHEMBL1906335 0.77 PPARG (0.42) PPARGRXRARXRBRXRGIDO1
SCHEMBL1070283 0.76 PPARG (0.41) PPARGRXRARXRBRXRGIDO1
SCHEMBL30093322 0.76 CA1 (0.55) ALDH1A1POLBTDP1L3MBTL1ADRA2B
SCHEMBL13951851 0.76 IDO1 (0.50) PPARGRXRARXRBRXRGIDO1
SCHEMBL1053934 0.76 PPARG (0.41) PPARGRXRARXRBRXRGIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US claimed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
EP-3061756-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-11-14 EP disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
EP-3061756-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2016-08-31 EP disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-4115383-A Alkoxycarbonyl-ethylthio-azetidinones and process for their preparation ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4048162-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4031082-A Process for preparing 3-acycloxymethyl-2-cephem compounds ELI LILLY AND COMPANY (US) 1977-06-21 US disclosed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 US disclosed
US-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 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 (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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP PPARG 4821/4885RXRA 4793/4885RXRB 4660/4885
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 PPARG 2461/4885RXRA 1067/4885RXRB 1307/4885

“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.