SCHEMBL2098142

SCHEMBL2098142

[CH]Cc1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.33
SLC6A4 P31645 1/20 0.33
PTPRZ1 P23471 2/20 0.32
DAO P14920 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GRIN2B Q13224 1/20 0.30
MAOB P27338 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
SCHEMBL2094401 0.84 DAO (0.36) ALDH1A1TSHRPTPN1SLC6A4DAO
SCHEMBL2096339 0.83 ALDH1A1 (0.47) ALDH1A1TSHRSLC6A4DAOBCHE
SCHEMBL2095917 0.79 ALDH1A1 (0.34) ALDH1A1TSHRPTPN1SLC6A4PTPRZ1
SCHEMBL2095922 0.79 MAOB (0.47) MAOB
SCHEMBL2096063 0.79 ALDH1A1 (0.34) ALDH1A1TSHRPTPN1SLC6A4PTPRZ1
SCHEMBL16089347 0.79 MAOB (0.47) MAOB
SCHEMBL2098143 0.79 TSHR (0.45) ALDH1A1TSHRSLC6A4BCHEACHE
SCHEMBL11724226 0.79 ALDH1A1 (0.35) ALDH1A1TSHRPTPN1SLC6A4
SCHEMBL2097390 0.77 CETP (0.39) DAO
SCHEMBL9852584 0.76 PPARA (0.53) ALDH1A1TSHRDAOPPARGPPARA

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 ALDH1A1 412/4885TSHR 162/4885PTPN1 1076/4885

“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.