SCHEMBL1799467

SCHEMBL1799467

N#Cc1csc([N+](=O)[O-])c1S(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
CA12 O43570 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
CA1 P00915 6/20 0.33
VCAM1 P19320 3/20 0.33
CA14 Q9ULX7 2/20 0.33
XDH P47989 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
GRIA1 P42261 2/20 0.30
GRIA2 P42262 2/20 0.30
GRIA3 P42263 2/20 0.30
GRIA4 P48058 2/20 0.30
GRM6 O15303 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
SCHEMBL1796470 0.78 CA1 (0.33) CA12CA2CA9CA1CA14
SCHEMBL1797123 0.73 VCAM1 (0.37) VCAM1XDHGRIA1GRIA2GRIA3
SCHEMBL18430522 0.73 VCAM1 (0.42) VCAM1XDHGRIA1GRIA2GRIA3
SCHEMBL14305192 0.73 VCAM1 (0.37) VCAM1XDHGRIA1GRIA2GRIA3
SCHEMBL18430405 0.73 GRIN2D (0.38) VCAM1XDHGRIA1GRIA2GRIA3
SCHEMBL332660 0.68 CA12 (0.31) CA12CA2CA9CA1CA14
SCHEMBL1523769 0.67 CA2 (0.41) CA12CA2CA9CA1VCAM1
SCHEMBL27629298 0.67 RECQL (0.34) CA12CA2CA9CA1CA14
SCHEMBL18430519 0.67 ALDH1A1 (0.35) VCAM1GRM6MAPT
SCHEMBL332661 0.66 CA2 (0.34) CA2CA1XDHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951800-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-05-31 US disclosed
US-7951800-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-05-31 US disclosed
US-7951800-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-05-31 US disclosed
US-20100120753-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-20100120753-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-20100120753-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
WO-2008011337-A1 HCV INHIBITORS ABBOTT LABORATORIES (US) 2008-01-24 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 (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-20080214528-A1 ANTI-INFECTIVE AGENTS NQO2, RSU1, RRS1 IDO1 848/4885CA12 4833/4885CA2 3689/4885
US-20100120753-A1 Anti-Infective Agents RSU1, NQO2, RRS1 IDO1 1058/4885CA12 4846/4885CA2 3663/4885

“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.