SCHEMBL1793032

SCHEMBL1793032

O=S(=O)(c1ccc(OCC(O)COc2ccc(S(=O)(=O)c3ccccc3O)cc2)cc1)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.50
CA2 P00918 13/20 0.50
CA9 Q16790 13/20 0.50
CA7 P43166 9/20 0.50
CA4 P22748 8/20 0.50
CA12 O43570 5/20 0.47
ADRB1 P08588 3/20 0.45
ADRB2 P07550 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1792769 0.90 CA1 (0.43) CA1CA2CA9CA7CA4
SCHEMBL1794276 0.84 MMP2 (0.50) CA1CA2CA9CA7CA4
SCHEMBL1793545 0.84 ALDH1A1 (0.45) CA1CA2CA9CA7CA4
SCHEMBL1791608 0.83 MMP2 (0.49) CA1CA2CA9CA7CA4
SCHEMBL1793050 0.83 MMP2 (0.49) CA1CA2CA9CA7CA4
SCHEMBL14546246 0.83 CA1 (0.56) CA1CA2CA9CA7CA4
SCHEMBL1793533 0.82 CA12 (0.49) CA1CA2CA9CA7CA4
SCHEMBL50959 0.82 MMP2 (0.48) CA1CA2CA9CA7CA4
SCHEMBL1794370 0.82 CA12 (0.49) CA1CA2CA9CA7CA4
SCHEMBL1795224 0.81 CA1 (0.40) CA1CA2CA9CA7CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563468-B2 Color developing composition containing molecular compound, and recording material NIPPON SODA CO., LTD. (JP) 2013-10-22 US disclosed
EP-2332733-B1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL NIPPON SODA CO (JP) 2012-11-28 EP disclosed
EP-2332733-A1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL Nippon Soda Co., Ltd. (JP) 2011-06-15 EP disclosed
US-20110120345-A1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL NIPPON SODA CO., LTD. (JP) 2011-05-26 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-20110120345-A1 COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL HBG1, HBG2, CYC1 CA1 2502/4885CA2 2501/4885CA9 3042/4885

“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.