SCHEMBL3129576

SCHEMBL3129576

COc1c(F)cc(C(=O)NC(C)C(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
TAS1R2 Q8TE23 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK14 Q16539 2/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX12 P18054 1/20 0.41
TUBB1 Q9H4B7 2/20 0.40
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3138340 1.00 MAPK1 (0.47) MAPK1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL3239380 0.84 GRM5 (0.45) MAPK1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL3135040 0.80 TAS1R3 (0.65) MAPK1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL3132875 0.80 TAS1R3 (0.65) MAPK1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL3304686 0.79 CYP2C9 (0.39) MAPK1TAS1R3TAS1R1TAS1R2CYP2C9
SCHEMBL3306956 0.79 CYP2C9 (0.39) MAPK1TAS1R3TAS1R1TAS1R2CYP2C9
SCHEMBL3288244 0.79 MAPK1 (0.46) MAPK1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL13325364 0.79 MAPK1 (0.46) MAPK1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL3309608 0.79 MAPK1 (0.46) MAPK1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL2909101 0.78 TAS1R3 (0.47) MAPK1TAS1R3TAS1R1TAS1R2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
US-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-06-03 US disclosed
EP-2179651-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD Sumitomo Chemical Company, Limited (JP) 2010-04-28 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-20100137445-A1 PLANT DISEASE CONTROL AGENT, AND PLANT DISEASE CONTROL METHOD CBR3, CBR1, HDHD5 MAPK1 2267/4885TAS1R3 1105/4885TAS1R1 970/4885

“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.