SCHEMBL15052154

SCHEMBL15052154

O=S(=O)(NC1CCc2c(CCc3nccs3)cccc2C1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.53
RB1 P06400 1/20 0.43
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
DRD2 P14416 2/20 0.40
HTR6 P50406 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PTGDR Q13258 3/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
TBXAS1 P24557 1/20 0.39
ABCB11 O95342 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.38
CCKAR P32238 1/20 0.38
DRD3 P35462 2/20 0.37

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
SCHEMBL15052204 0.91 TBXA2R (0.65) TBXA2RTBXAS1
SCHEMBL15053155 0.80 TBXA2R (0.59) TBXA2RRB1HTR1AHTR7DRD2
SCHEMBL15051975 0.80 TBXA2R (0.62) TBXA2RRB1HTR1AHTR7DRD2
SCHEMBL15052228 0.79 TBXA2R (0.81) TBXA2RRB1PTGDRPTGDR2TBXAS1
SCHEMBL15052335 0.77 TBXA2R (0.58) TBXA2RRB1HTR1AHTR7DRD2
SCHEMBL15052559 0.76 TBXA2R (0.62) TBXA2RRB1PTGDRPTGDR2TBXAS1
SCHEMBL15078833 0.74 DRD2 (0.45) HTR1AHTR7DRD2HTR6DRD3
SCHEMBL15052221 0.73 TBXA2R (0.65) TBXA2RTBXAS1
SCHEMBL15052938 0.73 TBXA2R (0.65) TBXA2RTBXAS1
SCHEMBL15052127 0.73 TBXA2R (0.73) TBXA2RTBXAS1CYP2C9

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 5 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 claimed
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 US claimed
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
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 1/4885RB1 4111/4885HTR1A 72/4885

“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.