SCHEMBL309902

SCHEMBL309902

CS(=O)(=O)c1cc(O)cc(-c2ccccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.45
FADS1 O60427 1/20 0.45
PTGS2 P35354 7/20 0.45
ERN1 O75460 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
KAT6A Q92794 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ENPP2 Q13822 1/20 0.39
GRIA4 P48058 1/20 0.39
ACLY P53396 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL308815 0.81 HSD11B1 (0.48) SCDPTGS2ERN1KAT6AABL1
SCHEMBL308936 0.81 NR1H2 (0.43) PTGS2PTPN1
SCHEMBL28022700 0.79 PTGS2 (0.51) SCDFADS1PTGS2PTPRCPTPN1
SCHEMBL309425 0.78 EGFR (0.49) PTGS2ENPP2
SCHEMBL9206986 0.76 PTGS2 (0.73) SCDFADS1PTGS2PTGS1
SCHEMBL308981 0.75 ESR2 (0.50) SCDPTGS2PTPN1KAT6APTGS1
SCHEMBL1579374 0.75 SCD (0.45) SCDFADS1PTGS2PTPRCPTPN1
SCHEMBL13376181 0.75 ABL1 (0.46) PTGS2ERN1PTPRCPTPN1ACMSD
SCHEMBL28833280 0.74 PTGS2 (0.47) SCDFADS1PTGS2ENPP2PTGS1
SCHEMBL309579 0.74 PTGS2 (0.56) PTGS2PTGS1

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 9 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
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 SCD 256/4885FADS1 205/4885PTGS2 40/4885

“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.