SCHEMBL2880346

SCHEMBL2880346

O=S(=O)(O)Cc1ccccc1C(F)(F)F.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.49
IDO1 P14902 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
POLQ O75417 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 3/20 0.41
AR P10275 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
ATM Q13315 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2879992 0.98 AKR1B1 (0.50) AKR1B1IDO1NPSR1POLQKDM4E
SCHEMBL2880351 0.96 AKR1B1 (0.49) AKR1B1IDO1NPSR1POLQKDM4E
SCHEMBL2903946 0.82 P2RX7 (0.43)
SCHEMBL4002424 0.81 TAAR1 (0.38) AKR1B1ALDH1A1KMT2AGAA
SCHEMBL18240882 0.80 IDO1 (0.44) AKR1B1IDO1NPSR1POLQKDM4E
SCHEMBL7787225 0.79 CA2 (0.43) AKR1B1NPSR1ALDH1A1TDP1RECQL
SCHEMBL514294 0.79 AKR1B1 (0.50) AKR1B1IDO1NPSR1POLQKDM4E
SCHEMBL2880348 0.79 AKR1B1 (0.50) AKR1B1IDO1NPSR1POLQKDM4E
SCHEMBL31405393 0.79 AKR1B1 (0.50) AKR1B1IDO1NPSR1POLQKDM4E
SCHEMBL514295 0.79 NPSR1 (0.53) AKR1B1IDO1NPSR1POLQKDM4E

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 14 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-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP 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 AKR1B1 1698/4885IDO1 851/4885NPSR1 3332/4885
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides ARSA, AHR, STS AKR1B1 390/4885IDO1 832/4885NPSR1 113/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A AKR1B1 1698/4885IDO1 851/4885NPSR1 3332/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A AKR1B1 1698/4885IDO1 851/4885NPSR1 3332/4885

“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.