SCHEMBL6511330

SCHEMBL6511330

CCc1cc(Br)ccc1C(=O)CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.47
MAPK1 P28482 1/20 0.40
HPGDS O60760 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
DGAT1 O75907 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
CES2 O00748 1/20 0.37
GALR3 O60755 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
PTPN1 P18031 2/20 0.37
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14799647 0.87 HSP90AB1 (0.47) MAPK1MAPTRAB9ADGAT1HSD17B1
SCHEMBL6513432 0.81 HSD17B1 (0.56) MAPK1MAPTRAB9ADGAT1HSD17B1
SCHEMBL257249 0.81 KDM4E (0.50) MAPTRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL4446190 0.79 DGAT1 (0.56) MAPK1MAPTRAB9ADGAT1HSD17B1
SCHEMBL11444415 0.79 MAPT (0.40) MAPK1MAPTRAB9ADGAT1HSD17B1
SCHEMBL11543627 0.79 GSK3B (0.53) GSK3BHPGDSMAPTDGAT1CYP1A2
SCHEMBL29544246 0.79 GSK3B (0.53) GSK3BHPGDSMAPTDGAT1CYP1A2
SCHEMBL4474491 0.79 ALDH1A1 (0.40) MAPK1MAPTRAB9ADGAT1HSD17B1
SCHEMBL4000497 0.79 GSK3B (0.52) GSK3BHPGDSMAPTRAB9ADGAT1
SCHEMBL24099745 0.78 L3MBTL1 (0.40) MAPK1MAPTRAB9ADGAT1HSD17B1

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 8 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

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 GSK3B 4650/4885MAPK1 551/4885HPGDS 94/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 GSK3B 4592/4885MAPK1 561/4885HPGDS 92/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 GSK3B 4650/4885MAPK1 551/4885HPGDS 94/4885

“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.