SCHEMBL4458317

SCHEMBL4458317

Cc1ccc2oc(S(=O)(=O)c3ccc(=O)[nH]n3)cc2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 18/20 0.73
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL4452223 0.85 AKR1B1 (1.00) AKR1B1
SCHEMBL4452028 0.84 AKR1B1 (1.00) AKR1B1CA12CA1CA2CA9
SCHEMBL4448826 0.84 AKR1B1 (1.00) AKR1B1CA2
SCHEMBL4451947 0.76 AKR1B1 (1.00) AKR1B1
SCHEMBL4454839 0.72 AKR1B1 (1.00) AKR1B1
SCHEMBL4451345 0.72 AKR1B1 (0.61) AKR1B1
SCHEMBL4458441 0.71 AKR1B1 (1.00) AKR1B1
SCHEMBL18224099 0.70 CA2 (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL10506991 0.70 CA2 (0.67) ALDH1A1CA12CA1CA2CA9
SCHEMBL690925 0.67 AKR1B1 (1.00) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 US claimed
US-20030114357-A1 Antidiabetic agents FRYBURG DAVID A (US) 2003-06-19 US claimed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 US claimed
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
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
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 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-20030114357-A1 Antidiabetic agents FRYBURG DAVID A (US) 2003-06-19 US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 US disclosed
EP-1298223-A2 Methods related to the A-C repeat Z-sequence upstream from the aldose reductase gene Pfizer Products Inc. (US) 2003-04-02 EP 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 (4 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 3/4885ALDH1A1 30/4885CA12 4698/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 AKR1B1 3/4885ALDH1A1 30/4885CA12 4698/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 AKR1B1 2/4885ALDH1A1 27/4885CA12 4807/4885
US-20030114357-A1 Antidiabetic agents AKR1B1, AKR1C2, AKR1C1 AKR1B1 1/4885ALDH1A1 40/4885CA12 3785/4885

“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.