SCHEMBL6313753

SCHEMBL6313753

O=C(CC(=O)C(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.56
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
XBP1 P17861 1/20 0.51
PLOD3 O60568 2/20 0.50
PLOD1 Q02809 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.48
NOTUM Q6P988 1/20 0.45
EPHX1 P07099 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
DDR1 Q08345 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.39
PTPN1 P18031 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38

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
SCHEMBL1925145 0.87 PLOD2 (0.59) PLOD2MAPTNPSR1XBP1PLOD3
SCHEMBL1924352 0.84 PLOD2 (0.60) PLOD2PLOD3PLOD1
SCHEMBL1924656 0.83 PLOD2 (0.54) PLOD2MAPTNPSR1PLOD3PLOD1
SCHEMBL7779146 0.81 PTPN1 (0.58) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL30580694 0.81 PTPN1 (0.58) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL1924261 0.81 PLOD2 (0.60) PLOD2PLOD3PLOD1NOTUMPTPN1
SCHEMBL28826568 0.80 MAPT (0.50) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL1349593 0.79 PLOD2 (0.54) PLOD2MAPTNPSR1PLOD3PLOD1
SCHEMBL1924095 0.78 PLOD2 (0.49) PLOD2MAPTNPSR1PLOD3PLOD1
SCHEMBL17711396 0.78 MAPT (0.54) MAPTNPSR1XBP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951876-B2 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-10-04 US disclosed
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-6603008-B1 Inhibit the biosynthesis of prostaglandins by intervention of the action of the enzyme cyclooxygenase on arachidonic acid PFIZER INC. 2003-08-05 US disclosed
US-20030144280-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER INC. (US) 2003-07-31 US disclosed
EP-1104760-B1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-03-12 EP disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1104760-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885MAPT 4779/4885NPSR1 136/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PLOD2 4308/4885MAPT 4790/4885NPSR1 98/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885MAPT 4779/4885NPSR1 136/4885
US-20030144280-A1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PTGS1, PTGS2, SULT2A1 PLOD2 4247/4885MAPT 4632/4885NPSR1 565/4885

“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.