SCHEMBL5541954

SCHEMBL5541954

[CH2]c1cccc(Oc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.43
LTA4H P09960 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SCN9A Q15858 3/20 0.42
MAPK14 Q16539 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6746131 0.87 KIF11 (0.50) KIF11LTA4HMAPTALDH1A1NPSR1
SCHEMBL5539559 0.86 ALDH1A1 (0.39) KIF11ADAMTS5LTA4HMAPK14MAPT
SCHEMBL5535131 0.86 KIF11 (0.43) KIF11LTA4HMAPTALDH1A1NPSR1
SCHEMBL5544915 0.82 CETP (0.43) LTA4HSCN9AMAPK14MAPTMEN1
SCHEMBL5542591 0.82 LTA4H (0.52) KIF11LTA4HSCN9AMAPK14MAPT
SCHEMBL6586546 0.82 MAPT (0.52) ADAMTS5MAPTMEN1KMT2AMITF
SCHEMBL2098374 0.81 LTA4H (0.45) KIF11LTA4HPDE4APDE4BPDE4C
SCHEMBL2204453 0.79 ALDH1A1 (0.45) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL5538666 0.79 ALDH1A1 (0.39) KIF11LTA4HMAPK14MAPTMEN1
SCHEMBL27579381 0.79 LTA4H (0.59) KIF11LTA4HSCN9AMAPK14MAPT

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-0317265-B1 Novel imidate insecticides ZENECA INC (US) 1994-06-01 EP disclosed
US-5089623-A Certain imidate insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
US-5070210-A Novel ketenimines as intermediates for insecticides ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-5045566-A Phenyl or naphthyl substituted ICI AMERICAS INC. (US) 1991-09-03 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
US-4994488-A Controlling Lepidoptera ICI AMERICAS INC. (US) 1991-02-19 US disclosed
EP-0317265-A2 Novel imidate insecticides ZENECA INC. (US) 1989-05-24 EP disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 KIF11 4778/4885ADAMTS5 1486/4885LTA4H 818/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KIF11 3946/4885ADAMTS5 4876/4885LTA4H 3452/4885

“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.