SCHEMBL2090741

SCHEMBL2090741

[CH2]CC(=O)c1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
NPC1 O15118 1/20 0.36
F2R P25116 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC1 Q13547 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ELANE P08246 1/20 0.33
CTSD P07339 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
SCHEMBL2097392 0.87 KCNK3 (0.47) KCNK3KCNK9F2RFFAR4ALDH1A1
SCHEMBL2092646 0.81 KCNK3 (0.38) KCNK3KCNK9F2RFFAR4CTNNB1
SCHEMBL9872527 0.80 KCNK3 (0.38) KCNK3KCNK9F2RFFAR4CTNNB1
SCHEMBL4247156 0.80 KDM4E (0.50) ALDH1A1KMT2AHTTHDAC8PTK2B
SCHEMBL2092649 0.78 LMNA (0.49) KCNK3KCNK9F2RALDH1A1KMT2A
SCHEMBL2094649 0.74 F2R (0.45) KCNK3KCNK9F2RFFAR4CTNNB1
SCHEMBL6002577 0.74 NPC1 (0.62) NPC1CTNNB1WNT3AALDH1A1KMT2A
SCHEMBL10600724 0.72 CA12 (0.35) ALDH1A1RXRARXRBRXRG
SCHEMBL5544348 0.72 F2R (0.43) KCNK3KCNK9F2RFFAR4CTNNB1
SCHEMBL5539498 0.71 HDAC8 (0.45) KCNK3KCNK9F2RFFAR4HDAC8

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 KCNK3 2801/4885KCNK9 3901/4885NPC1 3130/4885

“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.