SCHEMBL784838

SCHEMBL784838

NS(=O)(=O)c1cccnc1CC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 2/20 0.44
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.39
FTO Q9C0B1 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.35
COMT P21964 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL27211971 0.78 POLB (0.44) CA1CA2CA9MAPK1KMT2A
SCHEMBL2852456 0.75 CA1 (0.53) CA1CA2CA9MAPK1CA12
SCHEMBL3811042 0.74 CA1 (0.42) CA1CA2CA9CA12
SCHEMBL3448835 0.74 CA2 (0.51) CA1CA2CA9MAPK1CA12
SCHEMBL28125833 0.73 CA1 (0.47) CA1CA2CA9MAPK1CA12
SCHEMBL783636 0.73 CA1 (0.47) CA1CA2CA9MAPK1CA12
SCHEMBL28094137 0.71 CA1 (0.49) CA1CA2CA9MAPK1CA12
SCHEMBL19211643 0.71 CA2 (0.49) CA1CA2CA9MAPK1CA12
SCHEMBL27801396 0.70 CA2 (0.47) CA1CA2CA9MAPK1CA12
SCHEMBL28129506 0.70 CA1 (0.47) CA1CA2CA9MAPK1CA12

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-8841302-B2 HCV inhibitor and therapeutic agent combinations PTC THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 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-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CA1 4155/4885CA2 3704/4885CA9 3940/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS CA1 4515/4885CA2 3559/4885CA9 4223/4885

“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.