SCHEMBL2097658

SCHEMBL2097658

Fc1c([S])cccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
KDM4E B2RXH2 2/20 0.35
GRIA1 P42261 2/20 0.34
CACNG8 Q8WXS5 2/20 0.34
SCN9A Q15858 3/20 0.33
TRPA1 O75762 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
GAA P10253 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL2092570 0.80 GAA (0.38) KDM4EGRIA1CACNG8SCN9ATRPA1
SCHEMBL1401600 0.78 MPL (0.46) MPLKDM4EGRIA1CACNG8SCN9A
SCHEMBL2095120 0.78 GRIA1 (0.39) MPLKDM4EGRIA1CACNG8SCN9A
Hydrochloric Acid SCHEMBL12474459 0.77 KDM4E (0.36) KDM4ESCN9ATRPA1KCNK3KCNK9
SCHEMBL16184453 0.75 MPL (0.44) MPLKDM4EGRIA1CACNG8SCN9A
SCHEMBL900976 0.75 MPL (0.44) MPLKDM4EGRIA1CACNG8SCN9A
SCHEMBL17036744 0.75 MPL (0.44) MPLKDM4EGRIA1CACNG8SCN9A
SCHEMBL2097661 0.75 MPL (0.44) MPLKDM4ESCN9ATRPA1HTR2A
SCHEMBL900977 0.75 MPL (0.44) MPLKDM4EGRIA1CACNG8SCN9A
SCHEMBL17039548 0.75 KCNK3 (0.44) MPLKDM4ESCN9AKCNK3KCNK9

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 MPL 3349/4885KDM4E 4578/4885GRIA1 131/4885

“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.