SCHEMBL4450386

SCHEMBL4450386

COc1ccc(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.61
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CMA1 P23946 7/20 0.47
PFKFB3 Q16875 5/20 0.46
PFKFB4 Q16877 4/20 0.46
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
HTR2C P28335 3/20 0.43
HTR7 P34969 3/20 0.43
ADRA1B P35368 3/20 0.43
DRD3 P35462 3/20 0.43
HTR6 P50406 3/20 0.43
HTR4 Q13639 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
SLC2A1 P11166 1/20 0.43
HTR1E P28566 1/20 0.43

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
SCHEMBL27580886 0.77 AKR1B1 (0.95) AKR1B1NPSR1L3MBTL1CMA1
SCHEMBL4455964 0.76 AKR1B1 (1.00) AKR1B1NPSR1L3MBTL1
SCHEMBL4451859 0.74 AKR1B1 (0.61) AKR1B1HTR6
SCHEMBL337593 0.73 NPSR1 (0.62) AKR1B1NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL1548591 0.73 NPSR1 (0.62) AKR1B1NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL13696908 0.73 NPSR1 (0.62) AKR1B1NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL2226181 0.72 NPSR1 (0.60) AKR1B1NPSR1L3MBTL1CMA1PFKFB3
Hydrochloric Acid SCHEMBL6712744 0.71 NPSR1 (0.59) AKR1B1NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL3680145 0.70 NPSR1 (0.69) AKR1B1NPSR1L3MBTL1CMA1PFKFB3
SCHEMBL13389440 0.69 NPSR1 (0.56) AKR1B1NPSR1L3MBTL1CMA1PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 EP disclosed
EP-1491540-B1 Intermediates useful for the synthesis of pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2006-12-13 EP disclosed
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 US disclosed
US-6849629-B2 Heteroaromatic substituted sulfonyl or sulfoxide or thio-pyridazinone derivatives, useful for treating diabetic complications and cardiovascular disorders PFIZER, INC. (US) 2005-02-01 US disclosed
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS MYLARI BANAVARA L (US) 2005-01-06 US disclosed
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 EP disclosed
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 PFIZER INC 2004-10-07 US disclosed
EP-1392310-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS Pfizer Products Inc. (US) 2004-03-03 EP disclosed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 US disclosed
WO-2002087584-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 WO disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO disclosed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 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 (5 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-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885NPSR1 2018/4885L3MBTL1 4626/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885NPSR1 2018/4885L3MBTL1 4626/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 AKR1B1 2/4885NPSR1 1998/4885L3MBTL1 4627/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 AKR1B1 2/4885NPSR1 3468/4885L3MBTL1 2957/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 AKR1B1 3/4885NPSR1 3320/4885L3MBTL1 3110/4885

“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.