SCHEMBL4522357

SCHEMBL4522357

O=C(Nc1ccc(Cl)c(-c2nc3c(Cl)cccc3o2)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.70
AGPAT2 O15120 6/20 0.53
MAPT P10636 6/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTPRC P08575 1/20 0.50
PTGS1 P23219 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47

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
SCHEMBL4520484 0.92 PTGES (0.72) PTGESAGPAT2MAPTTHRBTP53
SCHEMBL4510506 0.84 PTGES (0.74) PTGESAGPAT2MAPTTHRBTP53
SCHEMBL4506643 0.84 PTGES (0.83) PTGESAGPAT2MAPTTHRBTP53
SCHEMBL4518282 0.82 PTGES (1.00) PTGESAGPAT2MAPTTP53
SCHEMBL4498498 0.81 PTGES (0.81) PTGESAGPAT2MAPTTHRBTP53
SCHEMBL6124596 0.73 CYP2C9 (0.67) PTGESAGPAT2MAPTTHRB
SCHEMBL4514083 0.73 MAPT (0.73) PTGESAGPAT2MAPTTHRBTP53
SCHEMBL4522223 0.72 PTGES (0.82) PTGESAGPAT2MAPTTHRBTP53
SCHEMBL4516675 0.71 PTGES (0.87) PTGESAGPAT2MAPTTP53SMN1; SMN2
SCHEMBL10590299 0.71 AGPAT2 (0.50) AGPAT2MAPTTP53SMN1; SMN2

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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US disclosed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 PTGES 162/4885AGPAT2 4533/4885MAPT 270/4885

“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.