SCHEMBL308936

SCHEMBL308936

CS(=O)(=O)c1cc(O)cc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.43
NR1H3 Q13133 4/20 0.43
TRPA1 O75762 2/20 0.42
KIF11 P52732 1/20 0.41
FFAR1 O14842 1/20 0.40
FLT3 P36888 1/20 0.39
HSD11B1 P28845 3/20 0.39
PTGS2 P35354 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
PTPN1 P18031 1/20 0.38
AR P10275 1/20 0.38
RXRA P19793 1/20 0.38
RORC P51449 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
SCHEMBL28972411 0.81 ABL1 (0.53) TRPA1HSD11B1AR
SCHEMBL309902 0.81 SCD (0.45) PTGS2PTPN1
SCHEMBL308815 0.78 HSD11B1 (0.48) NR1H2NR1H3HSD11B1PTGS2RXRA
SCHEMBL309425 0.75 EGFR (0.49) PTGS2
SCHEMBL13690367 0.74 AR (0.40) TRPA1AR
SCHEMBL1027860 0.72 SCN9A (0.53) TRPA1AR
SCHEMBL28160376 0.70 PTGS2 (0.54) NR1H2NR1H3KIF11PTGS2RORC
SCHEMBL6627999 0.69 FFAR4 (0.47) FFAR1HSD11B1PTGS2AR
SCHEMBL1513543 0.69 AR (0.50) TRPA1KIF11HSD11B1AR
SCHEMBL1069772 0.69 CA2 (0.51) NR1H2NR1H3KIF11FFAR1AR

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 NR1H2 104/4885NR1H3 155/4885TRPA1 1276/4885

“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.