SCHEMBL4458458

SCHEMBL4458458

COc1ccc(S(=O)(=O)c2oc3ccc(C(F)(F)F)cc3c2C)nn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.64
HIF1A Q16665 4/20 0.39
LMNA P02545 2/20 0.35
MAOB P27338 3/20 0.33
NR1I2 O75469 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL4448833 0.85 AKR1B1 (0.61) AKR1B1LMNAMAOBKDM4EMAPT
SCHEMBL4451859 0.83 AKR1B1 (0.61) AKR1B1KDM4EMEN1ALDH1A1HPGD
SCHEMBL4452476 0.80 AKR1B1 (0.58) AKR1B1LMNAMAOBMAPTMEN1
SCHEMBL4452391 0.78 AKR1B1 (1.00) AKR1B1
SCHEMBL6647497 0.70 AKR1B1 (0.57) AKR1B1HIF1AKDM4EMAPTMEN1
SCHEMBL13484254 0.69 AKR1B1 (0.65) AKR1B1MEN1KMT2A
SCHEMBL4458342 0.69 AKR1B1 (0.43) AKR1B1LMNAMAOBKDM4EMAPT
SCHEMBL28749737 0.69 AKR1B1 (0.55) AKR1B1HIF1AKDM4EMAPTMEN1
SCHEMBL4451364 0.69 AKR1B1 (0.64) AKR1B1LMNAMAOBKDM4EMAPT
SCHEMBL4458218 0.69 AKR1B1 (0.64) AKR1B1LMNAMAOBKDM4EMAPT

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 3/4885HIF1A 810/4885LMNA 1497/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885HIF1A 810/4885LMNA 1497/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 AKR1B1 2/4885HIF1A 932/4885LMNA 1557/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 AKR1B1 2/4885HIF1A 846/4885LMNA 1470/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 AKR1B1 3/4885HIF1A 797/4885LMNA 1505/4885

“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.