SCHEMBL2091356

SCHEMBL2091356

[CH2]C(=O)C1CCN(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.46
EPHX2 P34913 11/20 0.43
POLB P06746 1/20 0.43
NOTUM Q6P988 1/20 0.42
LIPE Q05469 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
EPHX1 P07099 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2091359 0.86 EPHX2 (0.53) HSD11B1MGLLEPHX2POLBNOTUM
SCHEMBL2088948 0.80 EPHX2 (0.42) HSD11B1EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL2088951 0.77 EPHX2 (0.55) HSD11B1MGLLEPHX2KDM2BEPHX1
SCHEMBL31114511 0.73 EPHX2 (0.50) EPHX2TP53MAPT
SCHEMBL4630572 0.71 EPHX2 (0.38) HSD11B1MGLLEPHX2POLBKDM2B
SCHEMBL12717115 0.70 FFAR4 (0.72) NOTUMFFAR4CHRM4
SCHEMBL27968916 0.69 HSD11B1 (0.60) HSD11B1MGLLEPHX2POLBKDM2B
SCHEMBL2089682 0.69 EPHX2 (0.54) HSD11B1MGLLEPHX2EPHX1CYP2C9
SCHEMBL16769747 0.69 CHRM4 (0.58) EPHX2NOTUMFFAR4CHRM4
SCHEMBL18825722 0.69 FFAR4 (0.57) NOTUMFFAR4CHRM4

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 HSD11B1 773/4885MGLL 4672/4885EPHX2 3472/4885

“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.