SCHEMBL2880351

SCHEMBL2880351

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.49
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
POLQ O75417 1/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
CNR1 P21554 1/20 0.40
USP2 O75604 1/20 0.40

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) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL2880346 0.96 AKR1B1 (0.49) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL2903946 0.82 P2RX7 (0.43)
SCHEMBL18240882 0.80 IDO1 (0.44) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL7787225 0.79 CA2 (0.43) AKR1B1ALDH1A1TDP1RECQLNPSR1
SCHEMBL2880348 0.79 AKR1B1 (0.50) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL31405344 0.79 IDO1 (0.52) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL514294 0.79 AKR1B1 (0.50) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL31405393 0.79 AKR1B1 (0.50) AKR1B1IDO1ALDH1A1KDM4ETDP1
SCHEMBL514295 0.79 NPSR1 (0.53) AKR1B1IDO1ALDH1A1KDM4ETDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228118-B Method for synthesizing sulfonyl halides and sulfonamides from sulfonates WYETH CORP 2013-09-18 CN disclosed
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
CN-101228118-A Method for synthesizing sulfonyl halides and sulfonamides from sulfonates WYETH CORP (US) 2008-07-23 CN 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 851/4885ALDH1A1 2405/4885
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides ARSA, AHR, STS AKR1B1 390/4885IDO1 832/4885ALDH1A1 2095/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A AKR1B1 1698/4885IDO1 851/4885ALDH1A1 2405/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A AKR1B1 1698/4885IDO1 851/4885ALDH1A1 2405/4885

“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.