SCHEMBL3753468

SCHEMBL3753468

[CH2]Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
CES2 O00748 1/20 0.41
SOD1 P00441 1/20 0.39
SCN9A Q15858 3/20 0.33
GPR84 Q9NQS5 1/20 0.33
NOTUM Q6P988 1/20 0.33
TDO2 P48775 1/20 0.33
ADRB1 P08588 1/20 0.33
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL535445 0.77 TSHR (0.48) IDO1CES2
SCHEMBL440959 0.76 CES2 (0.58) IDO1CES2ADRB1MAPTRAPGEF4
SCHEMBL13863863 0.76 CES2 (0.48) IDO1CES2SOD1ADRB1MAPT
SCHEMBL3807246 0.74 GABRA1 (0.46) MAPTRXRARXRBRXRG
SCHEMBL7784269 0.74 IDO1 (0.41) IDO1CES2SOD1GPR84TDO2
SCHEMBL24024094 0.74 IDO1 (0.41) IDO1CES2SOD1SCN9AGPR84
SCHEMBL10972207 0.74 IDO1 (0.52) IDO1CES2SOD1GPR84TDO2
SCHEMBL679095 0.74 ALDH1A1 (0.50) IDO1CES2SOD1MAPTRXRA
SCHEMBL535527 0.74 CA1 (0.48) IDO1CES2
SCHEMBL4600736 0.74 IDO1 (0.41) IDO1CES2SOD1GPR84TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917239-A1 FLUOROPROSTAGLANDINS NITRODERIVATIVES Pfizer, Inc. (US) 2008-05-07 EP claimed
WO-2007000642-A1 FLUOROPROSTAGLANDINS NITRODERIVATIVES PFIZER INC. (US) 2007-01-04 WO 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
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP 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
EP-1917239-A1 FLUOROPROSTAGLANDINS NITRODERIVATIVES Pfizer, Inc. (US) 2008-05-07 EP disclosed
WO-2007000642-A1 FLUOROPROSTAGLANDINS NITRODERIVATIVES PFIZER INC. (US) 2007-01-04 WO disclosed
EP-0930296-B2 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS CO LTD (JP) 2005-11-02 EP disclosed
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
US-5985920-A COMPOUNDS FOR TREATMENT OF VISION DEFECTS SUCH AS GLAUCOMA ASAHI GLASS COMPANY LTD. (JP) 1999-11-16 US disclosed
EP-0930296-A1 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS COMPANY LTD. (JP) 1999-07-21 EP disclosed
US-5886035-A PREVENTIVE AND THERAPEUTICAL MEDICINE FOR EYE DISEASE ASAHI GLASS COMPANY LTD. (JP) 1999-03-23 US disclosed
EP-0850926-A2 Difluoroprostaglandin derivatives and their use ASAHI GLASS COMPANY LTD. (JP) 1998-07-01 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 (1 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT IDO1 753/4885CES2 311/4885SOD1 46/4885

“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.