SCHEMBL579072

SCHEMBL579072

CC(C)(NS(=O)(=O)c1cccnc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
NAPRT Q6XQN6 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CG P48736 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
SLC40A1 Q9NP59 5/20 0.43
GLO1 Q04760 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42

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
SCHEMBL21960087 0.90 NAPRT (0.52) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL858995 0.83 MAPT (0.54) KMT2ANAPRTKEAP1NFE2L2TSHR
SCHEMBL30530541 0.83 MAPT (0.54) KMT2ANAPRTKEAP1NFE2L2TSHR
SCHEMBL486015 0.83 KMT2A (0.55) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1281419 0.80 GAA (0.50) KMT2AKEAP1TSHRALDH1A1HTT
SCHEMBL28888409 0.77 SLC1A3 (0.50) KMT2AABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30338836 0.74 NAPRT (0.57) KMT2ANAPRTKEAP1NFE2L2ALDH1A1
SCHEMBL2227366 0.74 NAPRT (0.57) KMT2ANAPRTKEAP1NFE2L2ALDH1A1
SCHEMBL21960093 0.74 ALDH1A1 (0.54) KMT2ANAPRTKEAP1NFE2L2ALDH1A1
SCHEMBL13605865 0.74 NAMPT (0.57) KMT2ANAPRTKEAP1NFE2L2ALDH1A1

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 10 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-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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 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 (4 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 KMT2A 4114/4885ABCC9 4076/4885ABCC8 2855/4885
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 KMT2A 2687/4885ABCC9 4426/4885ABCC8 4051/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS KMT2A 1654/4885ABCC9 4819/4885ABCC8 4716/4885
US-20120087893-A1 COMBINATIONS OF A HCV INHIBITOR SUCH AS BICYCLIC PYRROLE DERIVATIVES AND A THERAPEUTIC AGENT PREP, ENPEP, DNPEP KMT2A 3950/4885ABCC9 4374/4885ABCC8 3442/4885

“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.