SCHEMBL3367248

SCHEMBL3367248

O=C(O)c1c(C(F)(F)F)cc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
ASPH Q12797 1/20 0.37
CES2 O00748 4/20 0.36
KMO O15229 2/20 0.36
CES1 P23141 2/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
TTR P02766 1/20 0.34
DAO P14920 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NOTUM Q6P988 1/20 0.33
AR P10275 1/20 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
SCHEMBL8927424 0.82 CA1 (0.36) CA1CA2CA4CES2CES1
SCHEMBL8925773 0.80 AKR1C3 (0.34) CA1CA2CA4CES2CES1
SCHEMBL8925528 0.80 RXRA (0.33) CA1CA2CA4CES2CES1
SCHEMBL3941086 0.79 KDM4E (0.38) ASPHCES2MEN1KMT2ANOTUM
SCHEMBL22114832 0.77 ASPH (0.40) ASPHCES2KMOCES1GLRA3
SCHEMBL364018 0.76 CA1 (0.50) CA1CA2CA4ASPHCES2
SCHEMBL31446281 0.76 CA1 (0.42) CA1CA2CA4ASPHCES2
SCHEMBL7929893 0.76 DAO (0.41) CES2KMOCES1KIF11TTR
SCHEMBL423246 0.74 CES2 (0.43) ASPHCES2
SCHEMBL30532294 0.74 CES2 (0.43) ASPHCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
US-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-14 US disclosed
US-8318964-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-23 US disclosed
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP disclosed
US-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US disclosed
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed
EP-0847977-B1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2001-08-29 EP disclosed
US-6054605-A CHEMICAL INTERMEDIATE FOR DRUGS, PESTICIDES NIPPON SODA CO., LTD. (JP) 2000-04-25 US disclosed
US-6054624-A USEFUL AS THE STARTING MATERIALS FOR PRODUCING PESTICIDES, DRUGS AND THE LIKE NIPPON SODA CO., LTD. (JP) 2000-04-25 US disclosed
EP-0847977-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1998-06-17 EP disclosed
US-5648567-A INTERMEDIATES FOR BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0607826-B1 Fluoro-trifluoromethylbenzoic acid derivatives BAYER AG (DE) 1997-05-07 EP disclosed
US-5493048-A REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 US disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0607826-A1 Fluoro-Trifluoromethylbenzoic acid derivatives BAYER AG (DE) 1994-07-27 EP disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 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-20130066070-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A CA1 223/4885CA2 892/4885CA4 68/4885
US-20100324314-A1 PROCESS FOR PRODUCING ESTER COMPOUND ADH1C, ADH5, ADH1A CA1 182/4885CA2 742/4885CA4 97/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA1 1258/4885CA2 430/4885CA4 585/4885

“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.