SCHEMBL2885900

SCHEMBL2885900

CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)OC)cc3n2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
PGR P06401 2/20 0.42
CYP11B2 P19099 2/20 0.38
PLK4 O00444 3/20 0.36
DAPK3 O43293 3/20 0.36
JAK2 O60674 3/20 0.36
CDK1 P06493 3/20 0.36
RPS6KB1 P23443 3/20 0.36
CDK2 P24941 3/20 0.36
TYK2 P29597 3/20 0.36
CLK2 P49760 3/20 0.36
JAK3 P52333 3/20 0.36
LIMK1 P53667 3/20 0.36
CDK5 Q00535 3/20 0.36
DYRK1A Q13627 3/20 0.36
PKN2 Q16513 3/20 0.36
HIPK4 Q8NE63 3/20 0.36
AURKB Q96GD4 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
STK17A Q9UEE5 3/20 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
SCHEMBL2884492 0.94 HPGD (0.51) HPGDPGRCYP11B2KDM4EMEN1
SCHEMBL2879118 0.91 PGR (0.44) HPGDPGRCYP11B2PLK4DAPK3
SCHEMBL2881720 0.88 PGR (0.41) PGRCYP11B2PLK4DAPK3JAK2
SCHEMBL10095451 0.86 PGR (0.44) PGRCYP11B2PLK4DAPK3JAK2
SCHEMBL14468112 0.86 HPGD (0.46) HPGDPGRPLK4DAPK3JAK2
SCHEMBL10096613 0.84 CYP11B2 (0.44) HPGDPGRCYP11B2KDM4EALDH1A1
SCHEMBL10096179 0.83 PGR (0.42) PGRCYP11B2PLK4DAPK3JAK2
SCHEMBL1032219 0.83 PGR (0.42) PGRCYP11B2PLK4DAPK3JAK2
SCHEMBL2884063 0.83 KDM4E (0.41) HPGDKDM4EMEN1KMT2APTGER4
SCHEMBL12106626 0.82 PGR (0.44) PGRCYP11B2PLK4DAPK3JAK2

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HPGD 3255/4885PGR 1823/4885CYP11B2 1863/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HPGD 3255/4885PGR 1823/4885CYP11B2 1863/4885

“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.