SCHEMBL12616632

SCHEMBL12616632

CCc1csc(N)c1S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 3/20 0.31
CA7 P43166 2/20 0.31
CA4 P22748 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 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
SCHEMBL1801319 0.84 CYP2A6 (0.33) CA2CA1CA7CA4CA12
SCHEMBL6152123 0.80 CA2 (0.35) CA2CA1CA7CA4CA12
SCHEMBL335048 0.79 CA2 (0.38) CA2CA1
SCHEMBL336385 0.77
SCHEMBL3880729 0.75 LMNA (0.38) CA2ALDH1A1MAPK1CA1CA7
SCHEMBL27472507 0.70
SCHEMBL28451804 0.70 ALDH1A1 (0.38) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL7033949 0.70 ALDH1A1 (0.43) CA2ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL5282730 0.69 CA2 (0.36) CA2CA1
SCHEMBL4000892 0.68 CA12 (0.38) CA2CA1CA12CA9

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 4 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-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-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US 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 CA2 3689/4885ALDH1A1 1406/4885POLB 88/4885
US-20100120753-A1 Anti-Infective Agents RSU1, NQO2, RRS1 CA2 3663/4885ALDH1A1 1719/4885POLB 105/4885

“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.