Sugi Predict

Sugi Predict / Compounds / SCHEMBL8309534

SCHEMBL8309534

SCHEMBL8309534

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Oc2cccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 17/20 1.00
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ TBXA2R P21731 4/20 0.55

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
SCHEMBL8304384 0.92 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8309271 0.89 TBXAS1 (0.79) TBXAS1ALDH1A1TBXA2R
SCHEMBL8309213 0.84 TBXAS1 (1.00) TBXAS1
SCHEMBL9177531 0.81 TBXAS1 (0.86) TBXAS1ALDH1A1MAPTTBXA2R
SCHEMBL8306671 0.81 TBXAS1 (0.79) TBXAS1TBXA2R
SCHEMBL8309876 0.80 TBXAS1 (0.86) TBXAS1ALDH1A1MAPTTBXA2R
SCHEMBL8309225 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL8310212 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL8308584 0.77 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8310769 0.77 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 — — EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 — — US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 — — US disclosed