SCHEMBL3476154

SCHEMBL3476154

Cc1sc(S(N)(=O)=O)c(S(N)(=O)=O)c1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA12 O43570 2/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA4 P22748 1/20 0.33
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL10204131 0.83 CA1 (0.35) CA1CA2CA7CA12CA13
SCHEMBL10204130 0.80 CA12 (0.32) CA1CA2CA7CA12CA13
SCHEMBL1694754 0.68 CA1 (0.43) CA1CA2CA7CA12CA13
SCHEMBL11053413 0.67 CA2 (0.41) CA1CA2CA7CA12CA5A
SCHEMBL3694007 0.62 CA2 (0.39) CA1CA2CA7CA12CA13
SCHEMBL24812540 0.62 KDM4E (0.41) CA1CA2CA7CA12CA13
SCHEMBL20000082 0.62 KDM4E (0.46) CA1CA2CA7CA12CA13
SCHEMBL6150867 0.60 CA2 (0.33) CA1CA2CA7CA12CA13
SCHEMBL10204134 0.60 CA1 (0.34) CA1CA2CA7CA12CA13
SCHEMBL6733242 0.60 CA2 (0.33) CA1CA2CA7CA12CA13

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
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 EP disclosed
EP-2160392-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-03-10 EP disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CA1 4660/4885CA2 4532/4885CA7 4415/4885

“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.