SCHEMBL2092880

SCHEMBL2092880

[CH2]OCc1ccc(SC)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
PTPN7 P35236 6/20 0.33
DUSP3 P51452 6/20 0.33
MAOB P27338 1/20 0.33
AR P10275 2/20 0.32
PYCR1 P32322 1/20 0.32
SLC6A4 P31645 2/20 0.31
CCR2 P41597 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
USP28 Q96RU2 1/20 0.30
USP25 Q9UHP3 1/20 0.30

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
SCHEMBL12059552 0.80 IDO1 (0.38) IDO1ARPYCR1CCR2ADRA2A
SCHEMBL13461942 0.78 IDO1 (0.37) IDO1PTPN7DUSP3ARPYCR1
SCHEMBL3491800 0.78 KIF11 (0.44) IDO1PTPN7DUSP3ARPYCR1
SCHEMBL13461854 0.78 IDO1 (0.37) IDO1PTPN7DUSP3ARPYCR1
SCHEMBL3490684 0.78 IDO1 (0.40) IDO1PTPN7DUSP3ARPYCR1
SCHEMBL17295109 0.75 IDO1 (0.35) IDO1PTPN7DUSP3ARPYCR1
SCHEMBL5878833 0.72 AR (0.42) ARCCR2
SCHEMBL12879057 0.70 SMN1; SMN2 (0.39) ARCCR2ADRA2AADRA2BADRA2C
SCHEMBL710314 0.70 KDM1A (0.43) PTPN7DUSP3ARCCR2
SCHEMBL22904716 0.70 CES2 (0.46) ARSLC6A4CCR2ADRA2AADRA2B

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 IDO1 2665/4885PTPN7 935/4885DUSP3 2676/4885

“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.