SCHEMBL309183

SCHEMBL309183

CS(=O)(=O)c1cc(O)cc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
TTR P02766 1/20 0.37
PTGS2 P35354 6/20 0.33
PTGS1 P23219 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
LMNA P02545 1/20 0.32
APLNR P35414 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
FYN P06241 1/20 0.31
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
TNIK Q9UKE5 1/20 0.31
CYTH2 Q99418 1/20 0.31

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
SCHEMBL18503846 0.84 ENPP2 (0.56) ENPP2PTGS2CYP4F2CYP4A11LMNA
SCHEMBL17262659 0.80 LMNA (0.44) TTRLMNAAPLNRFYN
SCHEMBL5897971 0.76 ALDH1A1 (0.52) ENPP2PTGS2LMNACYTH2
SCHEMBL16651363 0.75 TTR (0.48) ENPP2TTRLMNA
SCHEMBL309415 0.74 ENPP2 (0.46) ENPP2PTGS2CYP4F2CYP4A11LMNA
SCHEMBL13731463 0.74 ENPP2 (0.46) ENPP2PTGS2PTGS1CYP4F2CYP4A11
SCHEMBL13730896 0.74 CA12 (0.50) ENPP2PTGS2PTGS1
SCHEMBL30633579 0.74 ENPP2 (0.46) ENPP2PTGS2CYP4F2CYP4A11LMNA
SCHEMBL13690334 0.74 ACP1 (0.36) ENPP2PTGS2LMNA
SCHEMBL2550551 0.74 PTGS2 (0.39) ENPP2PTGS2FYN

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 10 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
CN-101970401-A Leukotriene b4 inhibitors HOFFMANN LA ROCHE 2011-02-09 CN 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 ENPP2 69/4885TTR 2572/4885PTGS2 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.