SCHEMBL5545705

SCHEMBL5545705

[CH2]Cc1ccccc1OS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
DHODH Q02127 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCL8 P10145 1/20 0.34
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL3146283 0.81 TSHR (0.36) TAAR1KDM4ECA1CA2CA9
SCHEMBL27688793 0.81 TAAR1 (0.44) TAAR1KDM4ECA1CA2CA9
SCHEMBL645987 0.81 EPHX1 (0.39) TAAR1KDM4ECA1CA2CA9
SCHEMBL30422165 0.81 EPHX1 (0.39) TAAR1KDM4ECA1CA2CA9
SCHEMBL647641 0.81 TAAR1 (0.36) TAAR1KDM4ECA1CA2CA9
SCHEMBL29006872 0.80 ALDH1A1 (0.44) KDM4EMAPTCYP2D6TSHRALDH1A1
SCHEMBL27669601 0.79 TAAR1 (0.43) TAAR1KDM4ECA1CA2CA9
SCHEMBL8288339 0.79 TAAR1 (0.43) TAAR1KDM4ECA1CA2CA9
SCHEMBL3839152 0.79 NFE2L2 (0.42) KDM4ECA1CA2CA9KMT2A
SCHEMBL6935164 0.78 TAAR1 (0.42) TAAR1KDM4ECA1CA2CA9

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 TAAR1 364/4885KDM4E 4854/4885CA1 3493/4885

“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.