SCHEMBL2088985

SCHEMBL2088985

[CH2]CCc1cccc(-c2ccc(OC(F)(F)C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.43
FFAR1 O14842 10/20 0.37
AKR1B1 P15121 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ABL1 P00519 1/20 0.35
MAOB P27338 1/20 0.35
PTPN5 P54829 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
SLC13A5 Q86YT5 1/20 0.34
F2 P00734 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
SCHEMBL2093185 0.86 SLC13A5 (0.46) AGXTFFAR1FFAR4MAOBSLC13A5
SCHEMBL2091440 0.83 CHRM2 (0.43) AGXT
SCHEMBL2095155 0.80 DAO (0.36) MAOB
SCHEMBL2090549 0.78 CHRM3 (0.47) AGXTFFAR1FFAR4SLC13A5
SCHEMBL2090200 0.78 AGXT (0.37) AGXTFFAR1FFAR4ABL1SLC13A5
SCHEMBL7769298 0.77 ABL1 (0.54) FFAR1ABL1MAOB
SCHEMBL27550304 0.75 AGXT (0.62) AGXTMAOBPTPN5MRGPRX4
SCHEMBL2097738 0.75 PPARA (0.41) FFAR4
SCHEMBL8440604 0.74 KIF11 (0.46) PTPN5
SCHEMBL5544652 0.74 AGXT (0.57) AGXTFFAR1AKR1B1FFAR4MAOB

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 AGXT 2979/4885FFAR1 58/4885AKR1B1 216/4885

“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.