SCHEMBL309812

SCHEMBL309812

CS(=O)(=O)c1cc(O)cc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.58
TPX2 Q9ULW0 1/20 0.58
KIF11 P52732 2/20 0.51
PTGS2 P35354 4/20 0.50
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PPARD Q03181 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PTGER4 P35408 1/20 0.40

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
SCHEMBL309510 0.82 NPC1 (0.66) PTGS2ABL1BCRNPC1TP53
SCHEMBL7673984 0.81 PTGS2 (0.68) KIF11PTGS2ABL1BCRTP53
SCHEMBL12952736 0.81 AURKA (0.71) AURKATPX2KIF11AKR1C2AKR1C1
SCHEMBL1690017 0.81 AURKA (0.71) AURKATPX2KIF11AKR1C2AKR1C1
SCHEMBL21944789 0.78 AURKA (0.67) AURKATPX2KIF11AKR1C2AKR1C1
SCHEMBL514383 0.76 PTGS2 (0.65) KIF11PTGS2ABL1BCRTP53
SCHEMBL309425 0.75 EGFR (0.49) PTGS2
SCHEMBL309551 0.72 LOX (0.49) PTGS2PTGS1
SCHEMBL508237 0.72 AURKA (0.57) AURKATPX2KIF11AKR1C2AKR1C1
SCHEMBL21944912 0.72 KIF11 (0.51) KIF11PTGS2PTGS1

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 AURKA 4571/4885TPX2 1202/4885KIF11 4626/4885

“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.