SCHEMBL3757312

SCHEMBL3757312

Cc1c(F)c(F)c([O])c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.33
TAS1R1 Q7RTX1 9/20 0.33
TAS1R2 Q8TE23 9/20 0.33

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
SCHEMBL926802 0.80 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL34202 0.76 GRIN2D (0.32)
Bromide SCHEMBL9813316 0.76 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
Ammonia Solution, Strong SCHEMBL12487556 0.76 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
Water SCHEMBL22129214 0.76 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL107094 0.76 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
Bromide SCHEMBL9813323 0.76 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL12256409 0.72 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL12170037 0.72 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL1998603 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583183-B2 N-phenyl-N-fused-benzyl aminoalcohol derivatives, useful for treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-06-24 US claimed
US-20020183397-A1 Substituted n-phenyl-n-fused-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-12-05 US claimed
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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
CN-1148592-A 3-(3-aryloxy phenylic)-1-(substituted methyl)-S-triazine-2,4,6-oxo- or sulfo-triketone herbicide AMERICAN CYANAMID CO (US) 1997-04-30 CN 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 (3 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-20020183397-A1 Substituted n-phenyl-n-fused-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP TAS1R3 3363/4885TAS1R1 3045/4885TAS1R2 3721/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 TAS1R3 1443/4885TAS1R1 1106/4885TAS1R2 1394/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT TAS1R3 3830/4885TAS1R1 4081/4885TAS1R2 4189/4885

“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.