SCHEMBL6513323

SCHEMBL6513323

O=C(CC(=O)C(F)(F)F)c1ccc(-c2cocn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.54
PLOD3 O60568 2/20 0.53
PLOD1 Q02809 2/20 0.53
HDAC4 P56524 1/20 0.42
NAAA Q02083 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SCN9A Q15858 2/20 0.35
PTPN1 P18031 1/20 0.35
AR P10275 1/20 0.34
CCR9 P51686 1/20 0.34
HAO1 Q9UJM8 3/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
AKR1B1 P15121 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL6513893 0.79 PLOD2 (0.43) PLOD2PLOD3PLOD1SCN9ATRPV1
SCHEMBL6512481 0.79 PLOD2 (0.43) PLOD2PLOD3PLOD1SCN9ACCR9
SCHEMBL6512610 0.76 IMPDH2 (0.56) PLOD2PLOD3PLOD1
SCHEMBL6514170 0.76 PLOD2 (0.53) PLOD2PLOD3PLOD1HDAC4ADRB2
SCHEMBL4765377 0.75 HDAC4 (0.50) HDAC4GPR119
SCHEMBL6666160 0.73 PLOD2 (0.66) PLOD2PLOD3PLOD1HDAC4PTPN1
SCHEMBL6514564 0.73 PLOD2 (0.55) PLOD2PLOD3PLOD1HDAC4
SCHEMBL6511611 0.73 PLOD2 (0.55) PLOD2PLOD3PLOD1HDAC4
SCHEMBL20839501 0.73 ALDH1A1 (0.49) HDAC4NAAAGPR119
SCHEMBL6513218 0.72 RAB9A (0.59) PLOD2PLOD3PLOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PLOD2 4308/4885PLOD3 3490/4885PLOD1 4213/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885

“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.