SCHEMBL514679

SCHEMBL514679

[CH2]Sc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
GPR3 P46089 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KIF11 P52732 2/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
PDE2A O00408 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
POLB P06746 1/20 0.37
CHRNA7 P36544 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 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
SCHEMBL944451 0.81 EPHX2 (0.50) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL254957 0.80 MAPT (0.56) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL17791002 0.77 MAPT (0.47) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL2949216 0.77 MAPT (0.42) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL514680 0.77 CYP1A1 (0.44) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL5043580 0.77 MAPT (0.42) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL4116218 0.77 MAPT (0.42) MAPTEPHX2GPR3L3MBTL1KDM4E
SCHEMBL7955721 0.74 MAPT (0.40) MAPTEPHX2GPR3L3MBTL1KIF11
SCHEMBL13923555 0.74 PDE2A (0.42) MAPTEPHX2GPR3L3MBTL1KIF11
SCHEMBL7940692 0.74 CHRNA7 (0.52) MAPTEPHX2GPR3L3MBTL1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US 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 (5 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MAPT 1136/4885EPHX2 2321/4885GPR3 2620/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MAPT 4601/4885EPHX2 3112/4885GPR3 70/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 MAPT 4628/4885EPHX2 3449/4885GPR3 61/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 MAPT 4824/4885EPHX2 1753/4885GPR3 1730/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR MAPT 4420/4885EPHX2 3403/4885GPR3 38/4885

“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.