SCHEMBL2088892

SCHEMBL2088892

CCOC(=O)c1cc(C[O])oc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MIF P14174 1/20 0.40
PFKFB3 Q16875 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL23462185 0.81 TSHR (0.50) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL10849451 0.76 MAPK1 (0.49) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL23462010 0.75 MAPK1 (0.67) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL22775185 0.75 MAPK1 (0.50) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL346578 0.71 TSHR (0.67) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL19834811 0.71 TSHR (0.47) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL4771465 0.71 L3MBTL1 (0.48) TSHRL3MBTL1CA12CA1CA2
SCHEMBL18322314 0.70 FUCA1 (0.46) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL13365129 0.70 CYP4F2 (0.48) TSHRL3MBTL1MAPK1GAACA12
SCHEMBL18322320 0.70 FUCA1 (0.49) TSHRL3MBTL1MAPK1GAACA12

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 TSHR 162/4885L3MBTL1 2575/4885MAPK1 2105/4885

“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.