SCHEMBL4453846

SCHEMBL4453846

COc1ccc(S(=O)(=O)n2cccc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
FBP1 P09467 1/20 0.41
NNMT P40261 1/20 0.36
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EDNRA P25101 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
SCHEMBL25248250 0.72 NNMT (0.41) CA1CA2NNMTLMNASMN1; SMN2
SCHEMBL20610119 0.72 CA2 (0.50) CA1CA2NNMTLMNASMN1; SMN2
SCHEMBL4450397 0.72 NNMT (0.41) CA1CA2NNMTLMNASMN1; SMN2
SCHEMBL4557262 0.69 PIK3CA (0.39) SMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL4452372 0.68 CRHBP (0.56) LMNAMAPT
SCHEMBL353814 0.67 NNMT (0.54) CA1CA2NNMTLMNASMN1; SMN2
SCHEMBL29795195 0.67 NNMT (0.54) CA1CA2NNMTLMNASMN1; SMN2
SCHEMBL6206811 0.66 AKR1B1 (0.50) LMNASMN1; SMN2MAPTALDH1A1EDNRA
SCHEMBL6207024 0.66 LMNA (0.52) LMNASMN1; SMN2CYP2C19MAPTKDM4E
SCHEMBL6206045 0.66 LMNA (0.47) CA1CA2LMNASMN1; SMN2CYP2C19

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 CA1 3476/4885CA2 782/4885FBP1 5/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 CA1 3476/4885CA2 782/4885FBP1 5/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 CA1 3972/4885CA2 1112/4885FBP1 14/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 CA1 3552/4885CA2 1525/4885FBP1 45/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 CA1 3313/4885CA2 1367/4885FBP1 59/4885

“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.