SCHEMBL10096201

SCHEMBL10096201

CCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.33
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
ESR1 P03372 3/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
PDE5A O76074 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
MAPT P10636 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.30
GSK3B P49841 1/20 0.30
BRD4 O60885 1/20 0.30
MCHR1 Q99705 1/20 0.30
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
SCHEMBL10096202 0.93 ESR1 (0.34) TRPA1CTSDBACE1BACE2ESR1
SCHEMBL981798 0.93 TRPA1 (0.35) TRPA1CTSDBACE1BACE2ESR1
SCHEMBL10096203 0.92 PTGER4 (0.34) TRPA1CTSDBACE1BACE2ESR1
SCHEMBL10095819 0.90 PDE5A (0.39) ESR1PDE5AMAPTCCNCCDK8
SCHEMBL10096200 0.89 MAOA (0.35) TRPA1CTSDBACE1BACE2ESR1
SCHEMBL13151771 0.87 CHEK1 (0.34) CTSDBACE1BACE2ESR1PDE5A
SCHEMBL10095929 0.83 ESR1 (0.36) ESR1MAPT
SCHEMBL10096313 0.83 MAPT (0.34) ESR1MAPTLMNATP53SLC6A2
SCHEMBL981797 0.83 ESR1 (0.33) TRPA1ESR1SCN5ASCN9A
SCHEMBL981767 0.83 KDM4E (0.43) ESR1PDE5AMAPTLMNATP53

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 TRPA1 2850/4885CTSD 1431/4885BACE1 3062/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TRPA1 2497/4885CTSD 1501/4885BACE1 4118/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS TRPA1 2497/4885CTSD 1501/4885BACE1 4118/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP TRPA1 4555/4885CTSD 114/4885BACE1 2810/4885

“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.