SCHEMBL2096686

SCHEMBL2096686

C[C](C)COCCCCCc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
NAAA Q02083 1/20 0.39
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
DUSP3 P51452 2/20 0.37
CES2 O00748 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL2090305 0.82 CETP (0.44) CETPNAAAPTPN2PTPN1DUSP3
SCHEMBL2092617 0.82 CETP (0.44) CETPNAAAPTPN2PTPN1DUSP3
SCHEMBL2096694 0.79 NAAA (0.39) CETPNAAAPTPN2PTPN1DUSP3
SCHEMBL2096688 0.78 PTPN2 (0.37) CETPNAAAPTPN2PTPN1DUSP3
SCHEMBL2090304 0.75 NAAA (0.40) CETPNAAAPTPN2PTPN1DUSP3
SCHEMBL2092615 0.75 NAAA (0.40) CETPNAAAPTPN2PTPN1DUSP3
SCHEMBL2094474 0.74 CES2 (0.31) CES2TDP1L3MBTL1
SCHEMBL1532409 0.74 CETP (0.53) CETPNAAAALDH1A1LMNACYP3A4
SCHEMBL981165 0.74 CETP (0.53) CETPNAAAALDH1A1LMNACYP3A4
SCHEMBL981638 0.74 CETP (0.53) CETPNAAAALDH1A1LMNACYP3A4

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 CETP 4848/4885NAAA 1489/4885PTPN2 500/4885

“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.