SCHEMBL10096170

SCHEMBL10096170

CC(C)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.36
SGK1 O00141 2/20 0.35
SCN9A Q15858 2/20 0.34
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ALDH2 P05091 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
BRPF1 P55201 1/20 0.32
AR P10275 1/20 0.32
IDH1 O75874 1/20 0.32
CYP11B2 P19099 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL12106154 0.97 MAP2K4 (0.35) MAP2K4SGK1SCN9AUCHL1USP30
SCHEMBL10095697 0.88 PGR (0.43) MAP2K4NR3C1PGRNR3C2AR
SCHEMBL12407927 0.87 CTPS1 (0.39) MAP2K4SGK1SCN9AALDH2EGLN2
SCHEMBL10096230 0.87 MAP2K4 (0.35) MAP2K4SGK1SCN9AUCHL1USP30
SCHEMBL13151766 0.86 SGK1 (0.40) MAP2K4SGK1SCN9AALDH2AAK1
SCHEMBL10095698 0.86 CYP11B2 (0.42) NR3C1PGRNR3C2ARCYP11B2
SCHEMBL12105986 0.86 CTPS1 (0.37) MAP2K4SGK1SCN9AALDH2KDM5B
SCHEMBL10095974 0.85 CYP11B2 (0.35) MAP2K4SGK1SCN9AUCHL1USP30
SCHEMBL10096465 0.85 CYP11B2 (0.38) MAP2K4SGK1SCN9AUCHL1USP30
SCHEMBL10095962 0.85 CYP11B2 (0.38) MAP2K4SGK1SCN9AUCHL1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MAP2K4 4863/4885SGK1 3784/4885SCN9A 4252/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAP2K4 4847/4885SGK1 2038/4885SCN9A 4126/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAP2K4 4847/4885SGK1 2038/4885SCN9A 4126/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAP2K4 3400/4885SGK1 3570/4885SCN9A 4767/4885

“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.