SCHEMBL527399

SCHEMBL527399

CCOC(=O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.76
TBXAS1 P24557 7/20 0.51
HDAC8 Q9BY41 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL15078829 1.00 TBXA2R (0.76) TBXA2RTBXAS1HDAC8POLB
SCHEMBL9248933 0.92 TBXA2R (0.80) TBXA2RTBXAS1HDAC8
SCHEMBL15052559 0.91 TBXA2R (0.62) TBXA2RTBXAS1POLB
SCHEMBL15052944 0.89 TBXA2R (0.60) TBXA2RTBXAS1HDAC8POLB
SCHEMBL15051847 0.88 TBXA2R (0.75) TBXA2RTBXAS1HDAC8
SCHEMBL527812 0.87 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL15131733 0.85 TBXA2R (0.76) TBXA2RTBXAS1HDAC8
SCHEMBL9253596 0.85 TBXA2R (0.67) TBXA2RTBXAS1
SCHEMBL15053348 0.84 TBXA2R (0.80) TBXA2RTBXAS1HDAC8
SCHEMBL15052627 0.84 TBXA2R (0.76) TBXA2RTBXAS1HDAC8

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-9643919-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-09 US disclosed
US-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-8927586-B2 Thromboxane A2 (TP) receptor antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-01-06 US disclosed
US-8927586-B2 Thromboxane A2 (TP) receptor antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-01-06 US disclosed
US-20130190370-A1 Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-25 US disclosed
US-20130190370-A1 Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-25 US disclosed
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 US disclosed
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 US disclosed
WO-2012015944-A2 NOVEL TETRAHYDRONAPHALENE ANTAGONISTS TO THE THROMBOXANE A2 (TP) RECEPTOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-02-02 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 (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-20160031805-A1 CYCLOALKYL-DIONE DERIVATIVES AND METHODS OF THEIR USE CYP1B1, SQLE, C1S TBXA2R 158/4885TBXAS1 281/4885HDAC8 3228/4885
US-20130190370-A1 Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor TBXA2R, PTGIR, PTGFR TBXA2R 1/4885TBXAS1 6/4885HDAC8 4093/4885
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists TBXA2R, TBXAS1, PTGIR TBXA2R 1/4885TBXAS1 2/4885HDAC8 3954/4885

“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.