SCHEMBL2095504

SCHEMBL2095504

FC(F)(F)c1cc([S])cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
IDO1 P14902 2/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB1 P08588 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MAPK1 P28482 1/20 0.35
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34

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 0.86 CES2 (0.58) CES2IDO1TSHRALDH1A1ADRB1
Fluoride SCHEMBL7042364 0.79 NOTUM (0.43) CES2IDO1
Fluoride SCHEMBL7042360 0.79 NOTUM (0.43) CES2IDO1
SCHEMBL13567133 0.76 CES2 (0.50) CES2IDO1TSHRALDH1A1ADRB1
SCHEMBL9482063 0.76 RXRA (0.54) CES2IDO1TSHRALDH1A1ADRB1
SCHEMBL1450852 0.75 CES2 (0.44) CES2IDO1TSHRALDH1A1ADRB1
SCHEMBL13866628 0.73 RXRA (0.52) CES2IDO1TSHRALDH1A1ADRB1
SCHEMBL29121448 0.73 CES2 (0.48) CES2IDO1TSHRALDH1A1ADRB1
SCHEMBL4461544 0.73 CES2 (0.48) CES2IDO1TSHRALDH1A1ADRB1
SCHEMBL6142806 0.73 CES2 (0.42) CES2IDO1TSHRALDH1A1ADRB1

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-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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US 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
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-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 CES2 3287/4885IDO1 2391/4885TSHR 4396/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CES2 2243/4885IDO1 2665/4885TSHR 162/4885

“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.