SCHEMBL2095296

SCHEMBL2095296

CC=C(OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PTGS1 P23219 3/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
MAOB P27338 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
NQO2 P16083 1/20 0.42
PTGS2 P35354 1/20 0.42
SRD5A2 P31213 1/20 0.41
PTPN1 P18031 3/20 0.41
GSK3B P49841 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL10720902 0.85 CES2 (0.44) CES2CES1PTGS1NR4A1NR4A2
SCHEMBL10720895 0.85 CES2 (0.44) CES2CES1PTGS1NR4A1NR4A2
SCHEMBL11254744 0.80 PTGS1 (0.40) CES2CES1PTGS1NR4A1NR4A2
SCHEMBL11254745 0.80 PTGS1 (0.40) CES2CES1PTGS1NR4A1NR4A2
SCHEMBL2092214 0.80 CES2 (0.47) CES2
SCHEMBL2093794 0.78 NPSR1 (0.54) CES2NQO2KDM4EKMT2A
SCHEMBL6003090 0.78 CES2 (0.41) CES2CES1PTGS1NR4A1NR4A2
SCHEMBL2088584 0.77 TRPV1 (0.45) TRPV1KMT2A
SCHEMBL2096972 0.77 SMN1; SMN2 (0.43) CES2CES1PTGS1KDM4EHTT
SCHEMBL6695543 0.74 NPSR1 (0.49) CES2CES1NR4A1NR4A2NR4A3

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 CES2 2243/4885CES1 2325/4885PTGS1 2872/4885

“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.