SCHEMBL1023504

SCHEMBL1023504

[O-][n+]1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.43
PTPN2 P17706 6/20 0.42
PTPN1 P18031 6/20 0.42
PTPN5 P54829 6/20 0.42
HSPD1 P10809 4/20 0.42
HSPE1 P61604 4/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
UTRN P46939 3/20 0.38
PPARG P37231 1/20 0.37
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1025013 0.87 AGPAT2 (0.44) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL1026330 0.87 AGPAT2 (0.49) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL1024762 0.87 AGPAT2 (0.44) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL4544492 0.82 KDM4E (0.50) AGPAT2KDM4EALDH1A1GAAHPGD
SCHEMBL1023919 0.81 S1PR1 (0.52) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL1024991 0.76 AGPAT2 (0.45) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL355769 0.72 PDE2A (0.44) AGPAT2KDM4EMEN1KMT2A
SCHEMBL5834862 0.71 RAB9A (0.51) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL1024542 0.71 PPARG (0.45) AGPAT2PTPN2PTPN1PTPN5HSPD1
SCHEMBL15616841 0.71 AGPAT2 (0.47) AGPAT2PTPN2PTPN1PTPN5HSPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
US-8609705-B2 Fused heterocyclic compounds, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-17 US disclosed
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
EP-2490538-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-8242133-B2 Arthropod pest control compositions comprising substituted oxazolo [5,4-b ] pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
WO-2011049223-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049220-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-2274983-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 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 (8 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-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R AGPAT2 652/4885PTPN2 1086/4885PTPN1 690/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R AGPAT2 652/4885PTPN2 1086/4885PTPN1 690/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC AGPAT2 1499/4885PTPN2 2638/4885PTPN1 2734/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC AGPAT2 2123/4885PTPN2 1869/4885PTPN1 1806/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S AGPAT2 1148/4885PTPN2 2255/4885PTPN1 1447/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 AGPAT2 1407/4885PTPN2 3648/4885PTPN1 3033/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC AGPAT2 868/4885PTPN2 2101/4885PTPN1 2596/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 AGPAT2 1650/4885PTPN2 1885/4885PTPN1 2122/4885

“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.