SCHEMBL2090171

SCHEMBL2090171

[O]c1ccc(-c2ccccc2Oc2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
TRPA1 O75762 1/20 0.42
SCN9A Q15858 7/20 0.39
MME P08473 1/20 0.39
RORC P51449 1/20 0.38
PTGS2 P35354 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 1/20 0.37
DHODH Q02127 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE10A Q9Y233 1/20 0.37
S1PR1 P21453 1/20 0.36
SCN5A Q14524 1/20 0.36
BRD4 O60885 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
SCHEMBL2096383 0.88 FFAR4 (0.42) FFAR4TRPA1SCN9AMMERORC
SCHEMBL2090173 0.84 FFAR4 (0.46) FFAR4TRPA1SCN9AMMERORC
SCHEMBL2090264 0.83 FFAR4 (0.43) FFAR4TRPA1SCN9APTGS2ALOX5AP
SCHEMBL29788132 0.75 FFAR4 (0.55) FFAR4TRPA1SCN9AMMEALOX5AP
SCHEMBL306822 0.75 FFAR4 (0.55) FFAR4TRPA1SCN9AMMEALOX5AP
SCHEMBL1045874 0.74 FFAR4 (0.51) FFAR4TRPA1SCN9ARORCALOX5AP
SCHEMBL2096386 0.73 FFAR4 (0.42) FFAR4TRPA1SCN9AMMERORC
SCHEMBL2095211 0.73 PTGS2 (0.41) FFAR4SCN9APTGS2ALOX5APFEN1
SCHEMBL14744155 0.73 NCOA1 (0.51) FFAR4TRPA1SCN9AMMEALOX5AP
SCHEMBL2095253 0.73 FFAR4 (0.50) FFAR4TRPA1SCN9AMMERORC

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 5 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
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 (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 141/4885TRPA1 2870/4885SCN9A 3557/4885

“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.