SCHEMBL5537658

SCHEMBL5537658

Fc1ccc(-c2[c]cco2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TOP1 P11387 1/20 0.32
KMO O15229 1/20 0.32
MAOB P27338 1/20 0.31
PGR P06401 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL5540959 0.77 NOTUM (0.47) NOTUMHSD17B1HSD17B2CYP1A1CYP1A2
SCHEMBL512152 0.74 CYP1A2 (0.46) NOTUMCYP1A2NPC1RAB9A
SCHEMBL1479814 0.73 NOTUM (0.47) NOTUMCYP1A1CYP1A2CYP1B1NPC1
SCHEMBL6829225 0.72 ALDH1A1 (0.40) NOTUMCYP1A2NPC1RAB9A
SCHEMBL5539585 0.69 NPC1 (0.39) NOTUMNPC1RAB9A
SCHEMBL3792757 0.69 MAOA (0.52) NPC1RAB9A
SCHEMBL5537791 0.69 NOTUM (0.51) NOTUMCYP1A1CYP1A2CYP1B1MAOB
SCHEMBL13741967 0.68 CYP17A1 (0.52) NOTUMHSD17B1HSD17B2CYP1A2CYP17A1
SCHEMBL5544608 0.68 NOTUM (0.40) NOTUMNPC1RAB9A
SCHEMBL2552043 0.68 CYP11B1 (0.48) NOTUMHSD17B1HSD17B2CYP1A2CYP17A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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

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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885HSD17B1 225/4885HSD17B2 237/4885

“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.