SCHEMBL10096705

SCHEMBL10096705

CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCO)cc3n2C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B2 P19099 2/20 0.34
BRAF P15056 4/20 0.33
JAK1 P23458 3/20 0.33
KIT P10721 1/20 0.33
BRD4 O60885 1/20 0.32
PLK4 O00444 1/20 0.32
DCLK1 O15075 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 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
SCHEMBL10096710 0.97 MEN1 (0.38) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL10096478 0.94 PGR (0.38) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL10096225 0.93 PGR (0.40) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL10096721 0.92 MEN1 (0.38) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL10096720 0.92 ALDH1A1 (0.38) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL10096422 0.91 LMNA (0.40) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL12995995 0.90 PGR (0.38) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL12105747 0.90 HRH3 (0.39) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL12996072 0.90 ADRB2 (0.38) PGRMEN1ALDH1A1LMNAHPGD
SCHEMBL12996395 0.89 PGR (0.37) PGRMEN1ALDH1A1LMNAHPGD

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 9 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-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-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

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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PGR 1823/4885MEN1 4800/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PGR 1823/4885MEN1 4800/4885ALDH1A1 1497/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885MEN1 4860/4885ALDH1A1 1067/4885

“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.