SCHEMBL200530

SCHEMBL200530

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RAB9A P51151 1/20 0.38
PDK2 Q15119 2/20 0.37
SRD5A2 P31213 1/20 0.37
POLB P06746 1/20 0.37
MGLL Q99685 5/20 0.34
ATM Q13315 1/20 0.34
ENPP3 O14638 4/20 0.34
ENPP1 P22413 3/20 0.34
ENPP2 Q13822 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33

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
SCHEMBL200602 0.91 RAB9A (0.41) CNR1CNR2RAB9APDK2SRD5A2
SCHEMBL201845 0.78 CA5A (0.50) AURKATPX2
SCHEMBL203197 0.77 CNR1 (0.53) CNR1CNR2RAB9APDK2SRD5A2
SCHEMBL732876 0.75 CA12 (0.56) CNR2RAB9APOLBAURKATPX2
SCHEMBL5733006 0.75 NPC1 (0.51) RAB9ASRD5A2POLBMGLLHRH3
SCHEMBL200531 0.75 ESR2 (0.38) CNR2PDK2POLB
SCHEMBL27456837 0.70 MEN1 (0.43) MGLL
SCHEMBL732948 0.70 LCK (0.45) AURKATPX2
SCHEMBL21332379 0.68 DRD2 (0.47)
SCHEMBL200874 0.67 HSD11B1 (0.46) RAB9A

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 CNR1 947/4885CNR2 641/4885RAB9A 2954/4885

“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.