SCHEMBL579071

SCHEMBL579071

CC(C)(c1ncccc1S(N)(=O)=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.47
CA1 P00915 8/20 0.47
CA9 Q16790 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 3/20 0.44
AR P10275 1/20 0.44
FTO Q9C0B1 1/20 0.41
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA12 O43570 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36

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
SCHEMBL486014 0.84 CA2 (0.51) CA2CA1CA9MAPK1LMNA
SCHEMBL858994 0.82 CA1 (0.53) CA2CA1CA9MAPK1LMNA
SCHEMBL2421543 0.73 LMNA (0.44) CA2CA1CA9MAPK1LMNA
SCHEMBL29469809 0.72 CA1 (0.58) CA2CA1CA9MAPK1LMNA
SCHEMBL2227362 0.72 CA1 (0.58) CA2CA1CA9MAPK1LMNA
SCHEMBL2421539 0.72 LMNA (0.43) CA2CA1CA9MAPK1LMNA
SCHEMBL1281418 0.72 CA2 (0.46) CA2CA1CA9MEN1KMT2A
SCHEMBL578867 0.71 CA2 (0.45) CA2CA1CA9MAPK1LMNA
SCHEMBL3717326 0.71 CA2 (0.45) CA2CA1CA9MAPK1LMNA
SCHEMBL3717781 0.71 CA2 (0.45) CA2CA1CA9MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198907-B2 Combinations of a HCV inhibitor such as bicyclic pyrrole derivatives and a therapeutic agent PTC THERAPEUTICS, INC. (US) 2015-12-01 US disclosed
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-20120087893-A1 COMBINATIONS OF A HCV INHIBITOR SUCH AS BICYCLIC PYRROLE DERIVATIVES AND A THERAPEUTIC AGENT PTC THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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 (3 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 CA2 3704/4885CA1 4155/4885CA9 3940/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS CA2 3559/4885CA1 4515/4885CA9 4223/4885
US-20120087893-A1 COMBINATIONS OF A HCV INHIBITOR SUCH AS BICYCLIC PYRROLE DERIVATIVES AND A THERAPEUTIC AGENT PREP, ENPEP, DNPEP CA2 3259/4885CA1 3381/4885CA9 3341/4885

“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.