SCHEMBL3480476

SCHEMBL3480476

O=[N+]([O-])c1cc(F)c(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.53
TTR P02766 1/20 0.46
APP P05067 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
KIF11 P52732 1/20 0.43
ATM Q13315 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MASP2 O00187 1/20 0.40
F2 P00734 1/20 0.40
RORA P35398 1/20 0.40

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
SCHEMBL3900786 0.80 TDP1 (0.55) PTGESTTRALDH1A1TDP1HIF1A
SCHEMBL5961613 0.79 PTGES (0.41) PTGESTTRAPPALDH1A1TDP1
SCHEMBL3480565 0.79 PTGES (0.41) PTGESTTRAPPALDH1A1TDP1
SCHEMBL5961616 0.79 PTGES (0.43) PTGESTTRAPPTDP1CYP3A4
SCHEMBL4649430 0.79 APP (0.51) APPALDH1A1HIF1AKIF11AKR1C3
SCHEMBL5961611 0.79 PTGES (0.40) PTGESTTRAPPTDP1CYP3A4
SCHEMBL5961 0.78 ALDH1A1 (0.58) TTRALDH1A1TDP1HIF1ACYP3A4
SCHEMBL113070 0.78 TDP1 (0.60) TTRALDH1A1TDP1HIF1ACYP3A4
SCHEMBL29430691 0.78 ALDH1A1 (0.58) TTRALDH1A1TDP1HIF1ACYP3A4
SCHEMBL29580528 0.78 TDP1 (0.60) TTRALDH1A1TDP1HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767626-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-03 US disclosed
US-7612105-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-11-03 US disclosed
US-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-07-02 US disclosed
EP-1076053-B1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-11-29 EP disclosed
US-7037930-B2 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2006-05-02 US disclosed
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-08-04 US disclosed
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-05-19 US disclosed
US-6858639-B2 3-Arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-02-22 US disclosed
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-04-10 US disclosed
US-6509354-B1 Insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-21 US disclosed
EP-1076053-A1 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-02-14 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 (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-20090170883-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 PTGES 1990/4885TTR 3738/4885APP 3023/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 PTGES 2703/4885TTR 4060/4885APP 3622/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 PTGES 1990/4885TTR 3738/4885APP 3023/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 PTGES 1990/4885TTR 3738/4885APP 3023/4885

“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.