Sugi Predict

Sugi Predict / Compounds / SCHEMBL2098148

SCHEMBL2098148

SCHEMBL2098148

CCCCCCOC(=O)[N]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ RARB P10826 7/20 0.39
▸ PSEN1 P49768 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ RARA P10276 1/20 0.37

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
SCHEMBL2096875 0.86 MAOB (0.40) ALDH1A1PPARDPPARGPPARAMAPT
SCHEMBL2087778 0.84 HRH2 (0.43) ALDH1A1TSHRLMNAPPARGRARB
SCHEMBL2098151 0.78 FAAH (0.51) PPARDPPARGPPARANPC1RAB9A
SCHEMBL2094716 0.73 SMN1; SMN2 (0.45) ALDH1A1TSHRLMNAPPARAKMT2A
SCHEMBL5030836 0.72 ESR1 (0.60) ALDH1A1TSHRLMNAMAPTCYP3A4
SCHEMBL31575839 0.72 ALDH1A1 (0.63) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL6022530 0.71 MLYCD (0.58) ALDH1A1MAPTMEN1KMT2A
SCHEMBL5040216 0.71 NR5A1 (0.47) TSHRLMNAMAPTTP53NPC1
SCHEMBL10381412 0.71 MAOB (0.56) ALDH1A1TSHRLMNARARBMAPT
SCHEMBL10381425 0.71 MAOB (0.56) ALDH1A1TSHRLMNARARBMAPT

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 162/4885LMNA 4594/4885

“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.