SCHEMBL201845

SCHEMBL201845

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.50
HSD11B1 P28845 1/20 0.42
CXCR2 P25025 2/20 0.37
STS P08842 2/20 0.37
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
MAOB P27338 3/20 0.36
CXCR1 P25024 1/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ESRRA P11474 1/20 0.34
HCAR1 Q9BXC0 2/20 0.33
ESR2 Q92731 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
SCHEMBL200874 0.90 HSD11B1 (0.46) CA5AHSD11B1CXCR2STSMAOB
SCHEMBL732876 0.84 CA12 (0.56) CXCR2STSAURKATPX2LMNA
SCHEMBL5058374 0.80 CYP3A4 (0.52) HSD11B1CXCR2STSCXCR1CA1
SCHEMBL27830476 0.79 CA5A (0.48) CA5ASTSMAOBLMNACA12
SCHEMBL14002242 0.79 HSD17B10 (0.41) HSD11B1MAOBLMNA
SCHEMBL24436719 0.78 CA5A (0.55) CA5AAURKATPX2MAOBLMNA
SCHEMBL200530 0.78 CNR1 (0.39) AURKATPX2
SCHEMBL14002243 0.78 MAOB (0.59) MAOB
SCHEMBL8503398 0.77 MAOB (0.51) HSD11B1STSMAOBCA12CA1
SCHEMBL1713127 0.76 STS (0.62) HSD11B1CXCR2STSMAOBCXCR1

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 11 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
US-7449599-B2 Phenyl carboxamide compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK + CO INC. (US) 2008-11-11 US disclosed
US-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2007-11-01 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 (2 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 CA5A 2226/4885HSD11B1 136/4885CXCR2 511/4885
US-20070254958-A1 Phenyl Carboxamide Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, APP CA5A 791/4885HSD11B1 1636/4885CXCR2 4683/4885

“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.