SCHEMBL2097258

SCHEMBL2097258

[CH2]C(=O)N1CCC(Oc2ccc(OC(F)(F)F)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2J2 P51589 2/20 0.47
OXTR P30559 1/20 0.42
FAAH O00519 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 5/20 0.39
KCNH2 Q12809 5/20 0.39
NTRK2 Q16620 4/20 0.39
NTRK3 Q16288 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
SCN9A Q15858 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL2097260 0.88 OXTR (0.52) EPHX2CYP2C9CYP2J2OXTR
SCHEMBL2089682 0.85 EPHX2 (0.54) EPHX2CYP2C9CYP2J2FAAHMMP2
SCHEMBL2092942 0.78 EPHX2 (0.58) EPHX2MMP2MMP13
SCHEMBL2089118 0.77 KCNH2 (0.42) EPHX2CYP2C9CYP2J2KCNH2SCN9A
SCHEMBL2094405 0.75 PLA2G1B (0.45) EPHX2
SCHEMBL6097817 0.73 EPHX2 (0.56) EPHX2CYP2C9CYP2J2FAAHMMP2
SCHEMBL2096829 0.73 EPHX2 (0.55) EPHX2CYP2C9CYP2J2KCNH2
SCHEMBL7335892 0.72 GPR119 (0.56) EPHX2CYP2C9CYP2J2OXTRGPR119
SCHEMBL2091336 0.72 EPHX2 (0.57) EPHX2CYP2C9CYP2J2
SCHEMBL2089684 0.72 EPHX2 (0.60) EPHX2FAAHMMP2MMP13

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 EPHX2 3472/4885CYP2C9 2206/4885CYP2J2 517/4885

“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.