SCHEMBL2885303

SCHEMBL2885303

FC(F)(F)c1ccccc1-c1cccc(-c2ccccc2C(F)(F)F)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
NOTUM Q6P988 2/20 0.40
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
AR P10275 1/20 0.38
TRPA1 O75762 1/20 0.37
SCN9A Q15858 1/20 0.37
USP2 O75604 1/20 0.37
DPP4 P27487 1/20 0.37
CES1 P23141 1/20 0.37
PSMB8 P28062 1/20 0.37

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
SCHEMBL2879766 0.89 HSD11B1 (0.43) HSD11B1NOTUMPDK2ALDH1A1CYP3A4
SCHEMBL954085 0.81 TAAR1 (0.43) ALDH1A1HSD17B10CES1
SCHEMBL2879801 0.80 PDK2 (0.42) HSD11B1NOTUMPDK2ALDH1A1CYP3A4
SCHEMBL197671 0.80 HSD11B1 (0.56) HSD11B1NOTUMALDH1A1CYP3A4CYP2C19
SCHEMBL2886076 0.78 IDO1 (0.40) HSD11B1NOTUMPDK2ALDH1A1CYP3A4
SCHEMBL8022901 0.78 HSD11B1 (0.54) HSD11B1NOTUMALDH1A1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL29010139 0.78 HSD11B1 (0.54) HSD11B1NOTUMALDH1A1CYP3A4CYP2C19
SCHEMBL488856 0.73 SLC6A2 (0.40) HSD11B1CYP3A4
SCHEMBL29395789 0.73 SLC6A2 (0.40) HSD11B1CYP3A4
SCHEMBL11520584 0.73 TAAR1 (0.39) HSD11B1ALDH1A1

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 13 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-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US 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
EP-1718605-A1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES Wyeth (US) 2006-11-08 EP disclosed
WO-2005082843-A1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH (US) 2005-09-09 WO disclosed
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides WYETH (US) 2005-08-25 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 (4 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 HSD11B1 1960/4885NOTUM 546/4885PDK2 1170/4885
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides ARSA, AHR, STS HSD11B1 896/4885NOTUM 4006/4885PDK2 3289/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A HSD11B1 1960/4885NOTUM 546/4885PDK2 1170/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A HSD11B1 1960/4885NOTUM 546/4885PDK2 1170/4885

“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.