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SCHEMBL2095537

SCHEMBL2095537

CC=C(O)c1cc(OC(F)(F)F)cc(OC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.35
▸ TPX2 Q9ULW0 1/20 0.35
▸ PTGS1 P23219 4/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2095723 0.82 KAT6A (0.47) F10KAT6AMRGPRX4KMT2AGAA
SCHEMBL2092955 0.82 TRPV1 (0.45) AURKATPX2KMT2AMAPTGRIN2B
SCHEMBL2093782 0.77 NPC1 (0.38) PTGS1NQO2MRGPRX4KMT2AGAA
SCHEMBL16953043 0.77 ADORA3 (0.36) AURKATPX2PTGS1NQO2F10
SCHEMBL31550001 0.75 AURKA (0.56) AURKATPX2PTGS1PTGS2KAT6A
SCHEMBL2096862 0.74 ALDH1A1 (0.52) PTGS1NQO2GAAALDH1A1
SCHEMBL2096397 0.73 CA5A (0.41) AURKATPX2MRGPRX4GAAMAPT
SCHEMBL16958314 0.73 TGM2 (0.32) AURKATPX2PTGS1NQO2F10
SCHEMBL29394747 0.72 RXRA (0.50) AURKATPX2PTGS1PTGS2MRGPRX4
SCHEMBL18890162 0.72 RXRA (0.50) AURKATPX2PTGS1PTGS2MRGPRX4

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 AURKA 2088/4885TPX2 940/4885PTGS1 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.