SCHEMBL3312980

SCHEMBL3312980

CCCCCNS(N)(=O)=O.[N]

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.82
CA1 P00915 6/20 0.82
PPARA Q07869 4/20 0.71
CA12 O43570 3/20 0.52
CA7 P43166 2/20 0.52
CA14 Q9ULX7 2/20 0.52
EPHX1 P07099 1/20 0.50
RELA Q04206 4/20 0.44
CA9 Q16790 2/20 0.43

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
SCHEMBL62340 0.98 CA2 (0.86) CA2CA1PPARACA12CA7
SCHEMBL80252 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL3792229 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL3124345 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL291897 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL3794668 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL4622863 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL1668208 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL1228645 0.95 CA2 (0.82) CA2CA1PPARACA12CA7
SCHEMBL3787723 0.95 CA2 (0.82) CA2CA1PPARACA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO 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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH CA2 3013/4885CA1 3579/4885PPARA 4004/4885

“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.