SCHEMBL3480550

SCHEMBL3480550

O=Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.52
ALOX5AP P20292 10/20 0.52
KIF11 P52732 2/20 0.46
HDAC1 Q13547 2/20 0.40
P2RX7 Q99572 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
HDAC2 Q92769 1/20 0.37
MCHR1 Q99705 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 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
SCHEMBL2273143 0.80 KIF11 (0.51) FEN1ALOX5APKIF11MAOB
SCHEMBL13743257 0.78 KIF11 (0.46) FEN1ALOX5APKIF11P2RX7KDM1A
SCHEMBL21044480 0.78 FEN1 (0.51) FEN1ALOX5APKIF11HDAC1KDM1A
SCHEMBL2275587 0.77 KIF11 (0.55) FEN1ALOX5APKIF11HDAC1P2RX7
SCHEMBL153434 0.76 CYP1A1 (0.44) FEN1ALOX5APKIF11
SCHEMBL19072719 0.76 MPL (0.50) FEN1ALOX5APKIF11P2RX7KDM1A
SCHEMBL27344645 0.76 KIF11 (0.63) FEN1ALOX5APKIF11P2RX7KDM1A
SCHEMBL18003184 0.76 ALOX5AP (0.41) FEN1ALOX5APKIF11P2RX7MCHR1
SCHEMBL19248551 0.75 KIF11 (0.46) FEN1ALOX5APKIF11P2RX7KDM1A
Ammonia Solution, Strong SCHEMBL28850606 0.74 CYP1A1 (0.43) FEN1ALOX5APKIF11

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 FEN1 4707/4885ALOX5AP 3938/4885KIF11 2965/4885
US-20030069242-A1 3-arylphenyl sulfide derivative and insecticide and miticide CYP1B1, CYP2B6, CBR3 FEN1 4408/4885ALOX5AP 4056/4885KIF11 3598/4885
US-20050171097-A1 3-Arylphenyl sulfide derivative and insecticide and miticide CBR3, MSRB3, CYP1B1 FEN1 4707/4885ALOX5AP 3938/4885KIF11 2965/4885
US-20050107383-A1 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE CBR3, MSRB3, CYP1B1 FEN1 4707/4885ALOX5AP 3938/4885KIF11 2965/4885

“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.