SCHEMBL2096953

SCHEMBL2096953

CN(C(=O)O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
RIPK1 Q13546 4/20 0.34
TACR1 P25103 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
EGFR P00533 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
SCHEMBL2096951 0.83 CES2 (0.43) CES2CES1CA1CA2CA4
SCHEMBL12459288 0.83 CES2 (0.43) CES2CES1CA1CA2CA4
SCHEMBL2092299 0.80 CES2 (0.41) CES2CES1CA1TACR1CRHBP
SCHEMBL2094710 0.79 CES2 (0.42) CES2CES1RIPK1ALDH1A1
SCHEMBL16535089 0.79 TACR1 (0.31) TACR1CRHBPCRHR2
SCHEMBL21586818 0.75 HDAC1 (0.42) CA1CA2CA4KDM4EALDH1A1
SCHEMBL465570 0.73 TPMT (0.46) KDM4EALDH1A1
SCHEMBL23060401 0.72 RIPK1 (0.35) CES2CES1RIPK1TACR1
SCHEMBL2587663 0.71 LMNA (0.51)
SCHEMBL2095324 0.71 GAA (0.44) CES2CES1GPBAR1

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 2325/4885CA1 4171/4885

“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.