SCHEMBL2096383

SCHEMBL2096383

[O]c1ccc(-c2ccccc2Oc2cccc(OC(F)(F)F)c2OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
SCN9A Q15858 11/20 0.39
TRPA1 O75762 1/20 0.39
MME P08473 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
RORC P51449 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2090171 0.88 FFAR4 (0.46) FFAR4SCN9ATRPA1MMERORC
SCHEMBL2096386 0.86 FFAR4 (0.42) FFAR4SCN9ATRPA1MMECYP2C9
SCHEMBL2090264 0.78 FFAR4 (0.43) FFAR4SCN9ATRPA1ALOX5APFEN1
SCHEMBL25219191 0.75 SCN9A (0.46) FFAR4SCN9ATRPA1CYP2C9CYP3A4
SCHEMBL2090173 0.73 FFAR4 (0.46) FFAR4SCN9ATRPA1MMERORC
SCHEMBL2095211 0.71 PTGS2 (0.41) FFAR4SCN9AALOX5APFEN1PTGS2
SCHEMBL306822 0.70 FFAR4 (0.55) FFAR4SCN9ATRPA1MMECYP2C9
SCHEMBL29788132 0.70 FFAR4 (0.55) FFAR4SCN9ATRPA1MMECYP2C9
SCHEMBL1045874 0.70 FFAR4 (0.51) FFAR4SCN9ATRPA1RORCALOX5AP
SCHEMBL2094184 0.69 KDM4E (0.38) SCN9AALDH1A1L3MBTL1

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 3 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
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

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 FFAR4 141/4885SCN9A 3557/4885TRPA1 2870/4885

“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.