SCHEMBL2045174

SCHEMBL2045174

[CH2]CCCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ENPP2 Q13822 2/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
BMP1 P13497 2/20 0.40
PTGS2 P35354 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL5542684 0.94 CA2 (0.49) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL3067905 0.92 CA2 (0.47) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL5535777 0.88 ENPP2 (0.46) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL7216900 0.82 CA2 (0.69) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL7337427 0.82 CA2 (0.48) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL6798039 0.80 CA2 (0.52) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL7339629 0.80 CA2 (0.47) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL1943907 0.80 CA2 (0.67) CA2SMN1; SMN2ENPP2PTGS2CA12
SCHEMBL9834111 0.80 CA2 (0.47) CA2SMN1; SMN2ENPP2KCNJ1KCNH2
SCHEMBL10451582 0.80 CA2 (0.47) CA2SMN1; SMN2ENPP2KCNJ1KCNH2

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 16 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
CN-101384532-B method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD 2013-01-02 CN disclosed
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
CN-101384532-A Method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2009-03-11 CN disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101253151-A GPCR agonists PROSIDION LTD (GB) 2008-08-27 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CA2 1853/4885SMN1; SMN2 3985/4885ENPP2 2915/4885
US-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 CA2 2545/4885SMN1; SMN2 2625/4885ENPP2 4203/4885

“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.