SCHEMBL3179760

SCHEMBL3179760

CC1=C(C2CCCCC2)C(=O)NS(=O)(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.34
KDM4B O94953 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
DOHH Q9BU89 1/20 0.34
CA9 Q16790 1/20 0.33

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
SCHEMBL3188444 0.98 CA9 (0.34) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL3190887 0.77 CA9 (0.33) CA9
SCHEMBL3180645 0.68 CA9 (0.43) CA9
SCHEMBL8187039 0.65 CA9 (0.41) CA9
SCHEMBL9359924 0.65 JAK2 (0.35) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL17350280 0.65 CA9 (0.41) CA9
SCHEMBL4949641 0.64 CA9 (0.46) CA9
SCHEMBL14620427 0.64 CEL (0.33) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL10679447 0.63 KMT2A (0.34) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6944629 0.63 DAO (0.39)

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-7662957-B2 Method for producing 3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide compound or salt thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-16 US disclosed
US-20090318685-A1 METHOD FOR PRODUCING 3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE-2,2-DIOXIDE COMPOUND OR SALT THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-24 US disclosed
US-7408059-B2 6-methyl-3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide; cyclizing a beta-ketoamide-N-sulfonic acid with an acid anhydride DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-05 US disclosed
US-20050182255-A1 Method for producing 3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide compound or salt thereof DAICEL CHEMICAL INDUSTRIES, LTD. 2005-08-18 US disclosed
EP-1564211-A1 Method for producing 3,4-Dihydro-1,2,3-Oxathiazin-4-one-2,2-Dioxide compound or salt thereof Daicel Chemical Industries, Ltd. (JP) 2005-08-17 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-20050182255-A1 Method for producing 3,4-dihydro-1,2,3-oxathiazin-4-one-2,2-dioxide compound or salt thereof CA2, HAO2, SRD5A2 NR1I2 1366/4885KDM4B 1154/4885CHRM1 1894/4885
US-20090318685-A1 METHOD FOR PRODUCING 3,4-DIHYDRO-1,2,3-OXATHIAZIN-4-ONE-2,2-DIOXIDE COMPOUND OR SALT THEREOF CA2, HAO2, KYAT1 NR1I2 2595/4885KDM4B 566/4885CHRM1 2814/4885

“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.