SCHEMBL579298

SCHEMBL579298

NS(=O)(=O)c1cccnc1C(CF)CF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA9 Q16790 6/20 0.47
MAPK1 P28482 1/20 0.47
FTO Q9C0B1 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
TRPV4 Q9HBA0 1/20 0.40
AR P10275 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 4/20 0.36
CA14 Q9ULX7 3/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 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
SCHEMBL27857902 0.83 CA1 (0.47) CA1CA2CA9MAPK1FTO
SCHEMBL31028705 0.82 CA2 (0.53) CA1CA2CA9MAPK1FTO
SCHEMBL578800 0.79 CA1 (0.53) CA1CA2CA9MAPK1FTO
SCHEMBL27801399 0.78 CA1 (0.49) CA1CA2CA9MAPK1FTO
SCHEMBL9266513 0.76 CA1 (0.38) CA1CA2CA9MAPK1FTO
SCHEMBL3717326 0.74 CA2 (0.45) CA1CA2CA9MAPK1FTO
SCHEMBL3717781 0.74 CA2 (0.45) CA1CA2CA9MAPK1FTO
SCHEMBL578867 0.74 CA2 (0.45) CA1CA2CA9MAPK1FTO
SCHEMBL8510750 0.74 LMNA (0.42) CA1CA2CA9MAPK1FTO
SCHEMBL27713085 0.73 CA1 (0.44) CA1CA2CA9MAPK1FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 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 (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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 CA1 4664/4885CA2 3639/4885CA9 3837/4885
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.