SCHEMBL2113930

SCHEMBL2113930

O=C(O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.52
PPARA Q07869 1/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
KDM4E B2RXH2 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SOD1 P00441 1/20 0.46
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN6 P29350 2/20 0.46
PTGDR Q13258 1/20 0.46

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
SCHEMBL17896578 0.92 SMN1; SMN2 (0.58) PPARDPPARAPTGDR2SMN1; SMN2ALOX15
SCHEMBL12527817 0.88 PPARD (0.49) PPARDPPARAPTGDR2SMN1; SMN2RXRA
SCHEMBL14258069 0.88 ALDH1A1 (0.47) PPARDPPARAPTGDR2SMN1; SMN2ALOX15
SCHEMBL18794845 0.88 PTGDR2 (0.50) PPARDPPARAPTGDR2SMN1; SMN2ALOX15
SCHEMBL18056097 0.85 RXRA (0.50) PPARDPPARAPTGDR2SMN1; SMN2RXRA
SCHEMBL10931313 0.83 KDM4E (0.49) RXRARXRBRXRGKDM4ESOD1
SCHEMBL31645913 0.82 KDM4E (0.68) PPARAPTGDR2ALOX15KDM4ELMNA
SCHEMBL585546 0.82 KDM4E (0.68) PPARAPTGDR2ALOX15KDM4ELMNA
SCHEMBL18255647 0.82 PPARD (0.45) PPARDPPARAPTGDR2SMN1; SMN2RXRA
SCHEMBL20974260 0.81 PPARD (0.47) PPARDPPARAPTGDR2SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088066-B1 3,5-BIS (TRIFLUOROMETHYL) PHENOXY CARBOXYLIC ACIDS AND DERIVATIVES THEREOF MONSANTO COMPANY (US) 1985-04-03 EP claimed
US-4416687-A 3,5-Bis (trifluoromethyl)phenoxy carboxylic acids and derivatives thereof MONSANTO COMPANY (US) 1983-11-22 US claimed
EP-0088066-A1 3,5-Bis (trifluoromethyl) phenoxy carboxylic acids and derivatives thereof MONSANTO COMPANY (US) 1983-09-07 EP claimed
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2020-06-11 US disclosed
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2020-06-11 US disclosed
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents TRILLIUM THERAPEUTICS INC. (CA) 2020-03-31 US disclosed
US-20180334425-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2018-11-22 US disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
WO-2017070795-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 US disclosed
EP-0922028-A1 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-06-16 EP disclosed
WO-1998008818-A1 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1998-03-05 WO disclosed
US-4672065-A TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1987-06-09 US disclosed
US-4535087-A FOR TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1985-08-13 US disclosed
EP-0088066-B1 3,5-BIS (TRIFLUOROMETHYL) PHENOXY CARBOXYLIC ACIDS AND DERIVATIVES THEREOF MONSANTO COMPANY (US) 1985-04-03 EP disclosed
US-4416687-A 3,5-Bis (trifluoromethyl)phenoxy carboxylic acids and derivatives thereof MONSANTO COMPANY (US) 1983-11-22 US disclosed
EP-0088066-A1 3,5-Bis (trifluoromethyl) phenoxy carboxylic acids and derivatives thereof MONSANTO COMPANY (US) 1983-09-07 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 (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-20180334425-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF PPARD 293/4885PPARA 337/4885PTGDR2 200/4885
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents GRIN2A, ACHE, BDNF PPARD 293/4885PPARA 337/4885PTGDR2 200/4885
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF PPARD 293/4885PPARA 337/4885PTGDR2 200/4885

“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.