SCHEMBL6516756

SCHEMBL6516756

Cc1cc(C(=O)Cc2cccc(F)c2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
NR4A2 P43354 1/20 0.41
CNR2 P34972 2/20 0.41
PARP10 Q53GL7 1/20 0.40
EPHX2 P34913 1/20 0.40
IDH1 O75874 1/20 0.39
SLC1A1 P43005 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 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
SCHEMBL6999223 0.81 TAS1R3 (0.42) MAOBNR4A2CNR2PARP10EPHX2
SCHEMBL6511713 0.81 GSK3B (0.46) MAOBNR4A2PARP10SLC1A1MAPT
SCHEMBL3283011 0.80 KCNK3 (0.51) MAOBMAPTKDM4EHPGDHTT
SCHEMBL6514237 0.76 NPC1 (0.36) MAPTKDM4EHPGDHTTMEN1
SCHEMBL570730 0.76 MAPT (0.51) NR4A2CNR2SLC1A1MAPTHPGD
SCHEMBL6522487 0.76 KCNH2 (0.38) MAPTHPGDHTTMEN1NPC1
SCHEMBL8956315 0.75 L3MBTL1 (0.65) MAOBNR4A2PARP10MAPTSMN1; SMN2
SCHEMBL22733363 0.75 NR4A2 (0.46) MAOBNR4A2PARP10SLC1A1MAPT
SCHEMBL6994518 0.74 MAOB (0.45) MAOBNR4A2CNR2PARP10SLC1A1
SCHEMBL10257783 0.74 CHRNA1 (0.46) MAPTKDM4EHPGDSMN1; SMN2MEN1

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 MAOB 4594/4885NR4A2 397/4885CNR2 4/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 MAOB 4553/4885NR4A2 330/4885CNR2 5/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 MAOB 4594/4885NR4A2 397/4885CNR2 4/4885

“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.