SCHEMBL2886076

SCHEMBL2886076

FC(F)(F)c1ccccc1-c1cccc(CBr)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
PDK2 Q15119 1/20 0.38
HSD11B1 P28845 3/20 0.38
TRPA1 O75762 1/20 0.36
NOTUM Q6P988 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35

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
SCHEMBL4527 0.79 IDO1 (0.57) IDO1ALDH1A1MAOBPOLBTDP1
SCHEMBL29427013 0.79 IDO1 (0.57) IDO1ALDH1A1MAOBPOLBTDP1
SCHEMBL2885303 0.78 HSD11B1 (0.42) PDK2HSD11B1TRPA1NOTUMALDH1A1
SCHEMBL4155700 0.74 GABRA1 (0.35) TRPA1ALDH1A1TSHR
SCHEMBL15656859 0.74 PDK2 (0.42) PDK2HSD11B1TRPA1NOTUMALDH1A1
SCHEMBL197671 0.74 HSD11B1 (0.56) HSD11B1TRPA1NOTUMALDH1A1CYP3A4
SCHEMBL8022902 0.73 HSD11B1 (0.46) PDK2HSD11B1NOTUMALDH1A1CYP3A4
SCHEMBL2491458 0.73 PDK2 (0.41) PDK2HSD11B1TRPA1NOTUMALDH1A1
SCHEMBL2879766 0.72 HSD11B1 (0.43) PDK2HSD11B1TRPA1NOTUMALDH1A1
Hydrochloric Acid SCHEMBL29010139 0.72 HSD11B1 (0.54) IDO1HSD11B1TRPA1NOTUMALDH1A1

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-8283373-B2 Inhibitors of cytosolic phospholipase A2 PFIZER INC. (US) 2012-10-09 US disclosed
EP-1891006-B1 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH LLC (US) 2010-11-24 EP disclosed
EP-2248801-A1 Inhibitors of cytosolic phospholipase a2 Wyeth LLC (US) 2010-11-10 EP disclosed
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 WYETH LLC 2010-02-04 US disclosed
US-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 NOVARTIS AG (CH) 2010-01-28 US disclosed
US-7557135-B2 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2009-07-07 US disclosed
EP-1891006-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth a Corporation of the State of Delaware (US) 2008-02-27 EP disclosed
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2007-01-04 US disclosed
WO-2006128142-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2006-11-30 WO 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 (3 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-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A IDO1 851/4885PDK2 1170/4885HSD11B1 1960/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A IDO1 851/4885PDK2 1170/4885HSD11B1 1960/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A IDO1 851/4885PDK2 1170/4885HSD11B1 1960/4885

“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.