SCHEMBL10096259

SCHEMBL10096259

CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.33
TP53 P04637 3/20 0.32
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
CTSK P43235 1/20 0.32
S1PR1 P21453 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CHEK1 O14757 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
LMNA P02545 1/20 0.31
AR P10275 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL10193431 0.88 USP14 (0.36) TP53CCNCCDK8CHEK1CA1
SCHEMBL981798 0.87 TRPA1 (0.35) TP53CTSDBACE1BACE2CHEK1
SCHEMBL13152126 0.86 CHEK1 (0.36) PTGER1TP53CTSDBACE1BACE2
SCHEMBL10096337 0.86 CHEK1 (0.36) TP53CCNCCDK8CHEK1CA1
SCHEMBL981670 0.86 ESR1 (0.37) TP53CCNCCDK8CHEK1LMNA
SCHEMBL981767 0.84 KDM4E (0.43) TP53CHEK1LMNA
SCHEMBL13198724 0.84 PTK2 (0.38) TP53CCNCCDK8CHEK1CDK1
SCHEMBL10096313 0.83 MAPT (0.34) TP53CHEK1LMNASLC6A2SLC6A4
SCHEMBL12995931 0.83 METAP2 (0.42) CHEK1LMNA
SCHEMBL10095864 0.82 ESR1 (0.37) TP53CHEK1LMNASLC6A2SLC6A4

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 PTGER1 1822/4885TP53 1579/4885CTSD 1431/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PTGER1 3237/4885TP53 1262/4885CTSD 1501/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PTGER1 3237/4885TP53 1262/4885CTSD 1501/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PTGER1 4030/4885TP53 1710/4885CTSD 114/4885

“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.