SCHEMBL4387350

SCHEMBL4387350

N#Cc1cccc(C(COc2ccc(F)cc2)ON)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
MGLL Q99685 1/20 0.38
CDC7 O00311 1/20 0.36
RPS6KB1 P23443 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
AKT1 P31749 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
VNN1 O95497 1/20 0.34
MAOB P27338 3/20 0.34
TNF P01375 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
SCHEMBL4380343 0.77 S1PR1 (0.38) FFAR1TNF
SCHEMBL13589661 0.76 S1PR1 (0.41) FFAR1TNF
SCHEMBL4382611 0.72 ALDH1A1 (0.34) FFAR1KCNA5TNF
SCHEMBL4420077 0.71 AKT1 (0.40) FFAR1MGLLFFAR4KCNA5KCNH2
SCHEMBL923535 0.67 ALOX5 (0.50) FFAR1MGLLCDC7FFAR4GABRG2
SCHEMBL12322591 0.67 AOC3 (0.41) FFAR1KCNA5MRGPRX4TNF
Hydrochloric Acid SCHEMBL14686159 0.67 SCN4A (0.58)
SCHEMBL4387357 0.67 ALDH1A1 (0.43)
SCHEMBL19346561 0.67 PTGDR2 (0.40) MGLLCDC7RPS6KB1KCNA5KCNH2
SCHEMBL20838389 0.67 PTGDR2 (0.40) MGLLCDC7RPS6KB1KCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 FFAR1 361/4885MGLL 3394/4885CDC7 4504/4885

“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.