SCHEMBL416643

SCHEMBL416643

O=Cc1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
PPARG P37231 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
DHFR P00374 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL31120808 1.00 PTGS1 (0.51) PTGS1PPARGMEN1KMT2AALDH1A1
SCHEMBL6142514 0.89 PTGS1 (0.51) PTGS1PPARGMEN1KMT2AALDH1A1
SCHEMBL1133454 0.85 PTGS1 (0.51) PTGS1PPARGMEN1KMT2AALDH1A1
SCHEMBL14879562 0.84 ALDH1A1 (0.49) PTGS1PPARGMEN1KMT2AALDH1A1
SCHEMBL17508273 0.81 PTGS1 (0.49) PTGS1PPARGMEN1KMT2AKDM4E
SCHEMBL31227949 0.81 PTGS1 (0.49) PTGS1PPARGMEN1KMT2AKDM4E
SCHEMBL17508159 0.81 CYP2A6 (0.52) PTGS1MEN1KMT2AALDH1A1HPGD
SCHEMBL4415532 0.81 HSD17B10 (0.52) PTGS1ALDH1A1KDM4EHSD17B10KIF11
SCHEMBL9057929 0.81 ALDH1A1 (0.52) PTGS1PPARGMEN1KMT2AALDH1A1
SCHEMBL11671603 0.81 PPARG (0.45) PPARGMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 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 (1 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP PTGS1 2185/4885PPARG 4092/4885MEN1 4323/4885

“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.