SCHEMBL4451830

SCHEMBL4451830

O=S(=O)(c1ccc[n+]([O-])n1)c1cc2cc(Cl)cc(Cl)c2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.56
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GPR35 Q9HC97 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
F12 P00748 2/20 0.33
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4458441 0.72 AKR1B1 (1.00) AKR1B1
SCHEMBL7346076 0.70 KDM4E (0.32)
SCHEMBL6291193 0.67 AKR1B1 (0.48) AKR1B1HSD17B10CYP1A2
SCHEMBL27598387 0.64 AKR1B1 (0.57) AKR1B1POLB
SCHEMBL830270 0.61 CA12 (0.77) AKR1B1CA12CA1CA2CA9
SCHEMBL6683335 0.56 GAA (0.52) AKR1B1CA12CA1CA2CA9
SCHEMBL4901963 0.56
SCHEMBL2293882 0.55 GPR35 (0.47) AKR1B1CA12CA1CA2CA9
SCHEMBL1397721 0.55 GPR35 (0.47) AKR1B1CA12CA1CA2CA9
Iodide SCHEMBL10899710 0.54 ESR1 (0.48) AKR1B1CA12CA1CA2CA9

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 2 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
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 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 (1 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 3/4885CA12 4698/4885CA1 3476/4885

“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.