SCHEMBL2285656

SCHEMBL2285656

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.39
PDE4D Q08499 1/20 0.39
GABRA5 P31644 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.36
P2RX3 P56373 3/20 0.36
P2RX2 Q9UBL9 3/20 0.36
CYP2C9 P11712 3/20 0.35
MAPK14 Q16539 2/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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 0.89 CYP2C9 (0.41) L3MBTL1CNR2P2RX3P2RX2CYP2C9
SCHEMBL2287131 0.88 CYP2C9 (0.43) GABRA5L3MBTL1CNR2P2RX3P2RX2
SCHEMBL2288643 0.86 P2RX3 (0.39) L3MBTL1P2RX3P2RX2CYP2C9MAPK14
SCHEMBL3289549 0.79 KMT2A (0.46) L3MBTL1P2RX3P2RX2CYP2C9MAPK14
SCHEMBL3292761 0.79 NPC1 (0.47) L3MBTL1P2RX3P2RX2HTTALDH1A1
SCHEMBL3291059 0.77 MAOB (0.43) P2RX3P2RX2NPSR1
SCHEMBL3286631 0.77 HTT (0.38) L3MBTL1P2RX3P2RX2MAPTHTT
SCHEMBL3292108 0.77 GRM5 (0.45) P2RX3P2RX2CYP2C9MAPK14ALDH1A1
SCHEMBL4248948 0.76 ITGB3 (0.37) L3MBTL1CYP2C9MAPK14MAPK11RAB9A
SCHEMBL2291807 0.76 MAPK14 (0.41) P2RX3P2RX2MAPK14

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 TYK2 2440/4885PDE4D 3907/4885GABRA5 4592/4885

“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.