SCHEMBL149467

SCHEMBL149467

Cc1c(Cn2ccnc2)sc2ccc(C(=O)O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 1.00

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
Hydrochloric Acid SCHEMBL10853833 0.99 TBXAS1 (0.98) TBXAS1
SCHEMBL10855281 0.91 TBXAS1 (1.00) TBXAS1
SCHEMBL10859489 0.87 TBXAS1 (0.77) TBXAS1
SCHEMBL10861539 0.79 TBXAS1 (1.00) TBXAS1
SCHEMBL10853043 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL11287283 0.77 TBXAS1 (1.00) TBXAS1
SCHEMBL10853495 0.76 TBXAS1 (0.78) TBXAS1
SCHEMBL10856261 0.76 CYP19A1 (0.66) TBXAS1
SCHEMBL10859911 0.76 TBXAS1 (0.77) TBXAS1
SCHEMBL10856956 0.75 TBXAS1 (0.76) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 US claimed
US-20160333343-A1 Method of Treatment of Vascular Complications THE HEART RESEARCH INSTITUTE LTD. (AU) 2016-11-17 US disclosed
EP-2565275-B1 Method of treatment of vascular complications using modulators of TRX and TRXNIP HEART RES INST LTD (AU) 2016-04-20 EP disclosed
EP-2565275-A1 Method of treatment of vascular complications using modulators of TRX and TRXNIP THE HEART RESEARCH INSTITUTE LIMITED (AU) 2013-03-06 EP disclosed
US-20120058105-A1 METHOD OF TREATMENT OF VASCULAR COMPLICATIONS THE HEART RESEARCH INSTITUTE LTD (AU) 2012-03-08 US disclosed
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 US disclosed