SCHEMBL6516423

SCHEMBL6516423

CC(=O)OC(C(=O)c1ccc(Br)cc1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 1/20 0.55
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
ADRB2 P07550 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 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
SCHEMBL29684231 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL23043993 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL7448176 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CES2CES1MEN1
SCHEMBL6513419 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CES2CES1MEN1
SCHEMBL29975353 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL23462029 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL27782038 0.74 HDAC4 (0.46) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL19881211 0.72 HDAC4 (0.47) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL27427626 0.72 HDAC4 (0.47) ALDH1A1CYP3A4CES2CES1HDAC4
SCHEMBL19031592 0.72 KDM4E (0.44) ALDH1A1CYP3A4CES2CES1HDAC4

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 ALDH1A1 593/4885CYP3A4 600/4885CES2 1421/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 ALDH1A1 599/4885CYP3A4 530/4885CES2 1361/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 ALDH1A1 593/4885CYP3A4 600/4885CES2 1421/4885

“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.