SCHEMBL309886

SCHEMBL309886

CS(=O)(=O)c1cc(O)cc(-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.57
PTGS1 P23219 6/20 0.50
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
EPHB4 P54760 1/20 0.41

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
SCHEMBL309579 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8055957 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8055954 0.80 PTGS2 (0.64) PTGS2PTGS1EPHB4
SCHEMBL308981 0.76 ESR2 (0.50) PTGS2PTGS1
SCHEMBL585689 0.73 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6724457 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL309902 0.73 SCD (0.45) PTGS2PTGS1
SCHEMBL13690417 0.73 ERCC1 (0.46) PTGS2PTGS1ERCC1ERCC4
SCHEMBL308815 0.73 HSD11B1 (0.48) PTGS2
SCHEMBL309425 0.73 EGFR (0.49) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S PTGS2 40/4885PTGS1 31/4885ERCC1 4764/4885

“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.