SCHEMBL309551

SCHEMBL309551

CS(=O)(=O)c1cc(O)cc(-c2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.49
SCD O00767 1/20 0.43
MELK Q14680 1/20 0.43
ENPP2 Q13822 1/20 0.42
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
LRRK2 Q5S007 2/20 0.39
QDPR P09417 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
FYN P06241 1/20 0.38
MAP4K4 O95819 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 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
SCHEMBL309425 0.82 EGFR (0.49) LOXENPP2PTGS2
SCHEMBL309954 0.81 PTGS2 (0.56) LOXPTGS2PTGS1CYP3A4ERN1
SCHEMBL309510 0.77 NPC1 (0.66) PTGS2PTGS1LMNAERN1
SCHEMBL31463342 0.77 LMNA (0.58) CYP3A4LRRK2QDPRCHUKMAP4K4
SCHEMBL31463343 0.77 LMNA (0.58) CYP3A4LRRK2QDPRCHUKMAP4K4
SCHEMBL28179883 0.75 MELK (0.60) SCDMELKENPP2PTGS2PTGS1
SCHEMBL30690007 0.75 ALOX5 (0.53) SCDLRRK2
SCHEMBL17367960 0.75 ALOX5 (0.53) SCDLRRK2
SCHEMBL27433219 0.75 ABL1 (0.64) CYP3A4LRRK2QDPRCHUKMAP4K4
SCHEMBL18503846 0.74 ENPP2 (0.56) ENPP2PTGS2FYNMAP4K4MINK1

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 LOX 36/4885SCD 256/4885MELK 3534/4885

“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.