SCHEMBL2097545

SCHEMBL2097545

[CH]c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
IDO1 P14902 3/20 0.41
ADRB1 P08588 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
MAPT P10636 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL440959 0.83 CES2 (0.58) CES2IDO1ADRB1TSHRALDH1A1
SCHEMBL9482063 0.73 RXRA (0.54) CES2IDO1ADRB1TSHRALDH1A1
SCHEMBL13567133 0.73 CES2 (0.50) CES2IDO1ADRB1TSHRALDH1A1
SCHEMBL2095828 0.73 TSHR (0.54) CES2IDO1TSHRALDH1A1MAPT
SCHEMBL2095830 0.73 TSHR (0.54) CES2IDO1TSHRALDH1A1MAPT
SCHEMBL8729501 0.71
SCHEMBL4461544 0.71 CES2 (0.48) CES2IDO1ADRB1TSHRALDH1A1
SCHEMBL29121448 0.71 CES2 (0.48) CES2IDO1ADRB1TSHRALDH1A1
SCHEMBL2095504 0.71 CES2 (0.48) CES2IDO1ADRB1TSHRALDH1A1
SCHEMBL13866628 0.71 RXRA (0.52) CES2IDO1ADRB1TSHRALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-1945681-B1 METHOD FOR PRODUCING ULTRA-HIGH MOLECULAR WEIGHT POLYMERS BY MEANS OF SPECIAL BRIDGED METALLOCENE CATALYSTS TICONA GMBH (DE) 2014-12-10 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-8034886-B2 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2011-10-11 US disclosed
US-20100056737-A1 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-03-04 US disclosed
US-7598329-B2 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2009-10-06 US disclosed
EP-1766702-B1 USE OF POLYMERS FOR UP-CONVERSION AND DEVICES FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2008-10-15 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
EP-1945681-A1 METHOD FOR PRODUCING ULTRA-HIGH MOLECULAR WEIGHT POLYMERS BY MEANS OF SPECIAL BRIDGED METALLOCENE CATALYSTS Ticona GmbH (DE) 2008-07-23 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1766702-A1 USE OF POLYMERS FOR UP-CONVERSION AND DEVICES FOR UP-CONVERSION MERCK PATENT GmbH (DE) 2007-03-28 EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2006008068-A1 USE OF POLYMERS FOR UP-CONVERSION AND DEVICES FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2006-01-26 WO disclosed
WO-2006008127-A1 METHOD FOR PRODUCING ULTRAHIGH MOLECULAR WEIGHT POLYMERS WHILE USING UNBRIDGED METALLOCENE CATALYSTS TICONA GMBH (DE) 2006-01-26 WO disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2004087316-A1 TRANSITION METAL CATALYSTS AND USE THEREOF FOR HOMOPOLYMERIZING VINYL ESTERS CELANESE VENTURES GMBH (DE) 2004-10-14 WO disclosed
WO-2004046209-A1 TRANSITION METAL CATALYSTS FOR PRODUCING POLYVINYL ESTERS CELANESE VENTURES GMBH (DE) 2004-06-03 WO disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CES2 2243/4885IDO1 2665/4885ADRB1 189/4885

“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.