SCHEMBL2624072

SCHEMBL2624072

CC#CC1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA2 P00918 1/20 0.39
CTSK P43235 1/20 0.36
CTSL P07711 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MMP13 P45452 1/20 0.30
ADAM17 P78536 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
SCHEMBL313752 0.83 CA12 (0.40) CA12CA14CA1CA7CA2
SCHEMBL4187258 0.83 CA12 (0.43) CA12CA14CA1CA7CA2
SCHEMBL6124841 0.75 CA12 (0.44) CA12CA14CA1CA7CA2
SCHEMBL8287306 0.73 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL4180962 0.73 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL28827505 0.72 CA12 (0.45) CA12CA14CA1CA7CA2
SCHEMBL4214454 0.72 CA12 (0.41) CA12CA14CA1CA7CA2
SCHEMBL4212292 0.72 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL12396882 0.72 CA12 (0.49) CA12CA14CA1CA7CA2
SCHEMBL13798315 0.71 CA12 (0.46) CA12CA14CA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 CA12 3950/4885CA14 2467/4885CA1 4472/4885

“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.