SCHEMBL15052228

SCHEMBL15052228

O=C(O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(F)cc1)C2

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.81
PTGDR Q13258 3/20 0.54
PTGDR2 Q9Y5Y4 3/20 0.54
ABCB11 O95342 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD1 P21728 1/20 0.54
CCKAR P32238 1/20 0.54
TBXAS1 P24557 6/20 0.53
RB1 P06400 1/20 0.48

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
SCHEMBL9015455 0.90 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL527812 0.90 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL15052324 0.89 TBXA2R (0.77) TBXA2RPTGDRPTGDR2ABCB11CYP2C9
SCHEMBL15052559 0.87 TBXA2R (0.62) TBXA2RPTGDRPTGDR2ABCB11CYP2C9
SCHEMBL15051975 0.87 TBXA2R (0.62) TBXA2RPTGDRPTGDR2ABCB11CYP2C9
SCHEMBL9257256 0.85 TBXA2R (0.60) TBXA2RPTGDRPTGDR2ABCB11CYP2C9
SCHEMBL15053155 0.84 TBXA2R (0.59) TBXA2RPTGDRPTGDR2ABCB11CYP2C9
SCHEMBL15052127 0.84 TBXA2R (0.73) TBXA2RCYP2C9TBXAS1
SCHEMBL15052335 0.83 TBXA2R (0.58) TBXA2RPTGDRPTGDR2ABCB11CYP2C9
SCHEMBL9247892 0.82 TBXA2R (0.82) TBXA2RPTGDRPTGDR2ABCB11CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927586-B2 Thromboxane A2 (TP) receptor antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-01-06 US disclosed
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 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 (1 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-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists TBXA2R, TBXAS1, PTGIR TBXA2R 1/4885PTGDR 5/4885PTGDR2 4/4885

“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.