SCHEMBL200602

SCHEMBL200602

O=C(c1cc(OS(=O)(=O)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)c1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
SRD5A2 P31213 1/20 0.41
PDK2 Q15119 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM2B Q8NHM5 1/20 0.36
ENPP3 O14638 5/20 0.36
ENPP1 P22413 4/20 0.36
ENPP2 Q13822 3/20 0.36
F11 P03951 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL200530 0.91 CNR1 (0.39) RAB9ASRD5A2PDK2CNR1CNR2
SCHEMBL5733006 0.79 NPC1 (0.51) RAB9ASRD5A2DRD2DRD1DRD4
SCHEMBL926505 0.75 CA2 (0.41) DRD2DRD3
SCHEMBL200874 0.75 HSD11B1 (0.46) RAB9AF11DRD2DRD3
SCHEMBL27456837 0.75 MEN1 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL732948 0.74 LCK (0.45) F11
SCHEMBL200531 0.74 ESR2 (0.38) PDK2CNR2KDM2BDRD2DRD1
SCHEMBL200723 0.73 KDM2B (0.58) RAB9ACNR1CNR2KDM2BPDE4B
SCHEMBL4391166 0.72 NOTUM (0.45) RAB9APDK2F11
SCHEMBL21332379 0.72 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3

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
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 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-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S RAB9A 2954/4885SRD5A2 502/4885PDK2 1471/4885

“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.