SCHEMBL2287131

SCHEMBL2287131

C#CCOc1c(F)cc(C(=O)NCC(C)(C)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
MAPK14 Q16539 2/20 0.43
P2RX3 P56373 3/20 0.37
P2RX2 Q9UBL9 3/20 0.37
GABRA5 P31644 1/20 0.37
NAMPT P43490 4/20 0.36
CNR2 P34972 2/20 0.36
BRD4 O60885 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CFTR P13569 1/20 0.34
BUB1 O43683 1/20 0.34
PRKACG P22612 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPK11 Q15759 1/20 0.34
ACSL5 Q9ULC5 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 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
SCHEMBL3291054 0.91 CYP2C9 (0.41) CYP2C9MAPK14P2RX3P2RX2CNR2
SCHEMBL2288643 0.89 P2RX3 (0.39) CYP2C9MAPK14P2RX3P2RX2SLC6A5
SCHEMBL2285656 0.88 TYK2 (0.39) CYP2C9MAPK14P2RX3P2RX2GABRA5
SCHEMBL3286631 0.81 HTT (0.38) P2RX3P2RX2HTTL3MBTL1SCN9A
SCHEMBL3289549 0.81 KMT2A (0.46) CYP2C9MAPK14P2RX3P2RX2ALDH1A1
SCHEMBL3292761 0.81 NPC1 (0.47) P2RX3P2RX2ALDH1A1HTTL3MBTL1
SCHEMBL2291807 0.80 MAPK14 (0.41) MAPK14P2RX3P2RX2
SCHEMBL3291059 0.79 MAOB (0.43) P2RX3P2RX2
SCHEMBL3292108 0.79 GRM5 (0.45) CYP2C9MAPK14P2RX3P2RX2ALDH1A1
SCHEMBL4248948 0.78 ITGB3 (0.37) CYP2C9MAPK14MAPK11L3MBTL1

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-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 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-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 CYP2C9 2313/4885MAPK14 2420/4885P2RX3 4146/4885

“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.