SCHEMBL2091124

SCHEMBL2091124

Fc1cc(F)c([CH]c2c(F)cc(F)cc2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
PTP4A3 O75365 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
NFE2L2 Q16236 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
TGM2 P21980 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
SCHEMBL95723 0.75 ERN1 (0.50) ERN1PTP4A3CES2CES1ALDH1A1
SCHEMBL320358 0.75 ERN1 (0.34) ERN1PTP4A3CES2CES1ALDH1A1
SCHEMBL1547843 0.75 ERN1 (0.34) ERN1PTP4A3CES2CES1ALDH1A1
SCHEMBL27898703 0.73 ERN1 (0.33) ERN1PTP4A3CES2CES1
SCHEMBL18242209 0.73 ERN1 (0.33) ERN1PTP4A3CES2CES1RAPGEF4
SCHEMBL15145958 0.71 ERN1 (0.32) ERN1PTP4A3CES2CES1NFE2L2
SCHEMBL3193831 0.71 ERN1 (0.32) ERN1PTP4A3CES2CES1NFE2L2
SCHEMBL5539447 0.71 ERN1 (0.32) ERN1PTP4A3CES2CES1NFE2L2
SCHEMBL5539442 0.71 ERN1 (0.32) ERN1PTP4A3CES2CES1NFE2L2
SCHEMBL1161208 0.71 GRIN2D (0.35) ERN1PTP4A3CES2CES1ALDH1A1

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 ERN1 2217/4885PTP4A3 2560/4885CES2 2243/4885

“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.