SCHEMBL1795224

SCHEMBL1795224

C=CC(COc1ccc(S(=O)(=O)c2ccccc2O)cc1)Oc1ccc(S(=O)(=O)c2ccccc2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA7 P43166 5/20 0.40
CA12 O43570 3/20 0.40
CA4 P22748 3/20 0.37
MMP2 P08253 10/20 0.37
MMP12 P39900 9/20 0.37
MMP13 P45452 8/20 0.37
MMP14 P50281 8/20 0.37
MMP9 P14780 8/20 0.37
MMP3 P08254 5/20 0.37
MMP1 P03956 3/20 0.37
MMP8 P22894 7/20 0.36
MMP16 P51512 7/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1790989 0.89 CA1 (0.38) CA1CA2CA9CA7CA12
SCHEMBL1794645 0.83 PKM (0.47) CA1CA2CA9CA7CA12
SCHEMBL1793032 0.81 CA1 (0.50) CA1CA2CA9CA7CA12
SCHEMBL30705198 0.80 CA12 (0.59) CA1CA2CA9CA7CA12
SCHEMBL30705196 0.80 CA12 (0.59) CA1CA2CA9CA7CA12
SCHEMBL1794276 0.78 MMP2 (0.50) CA1CA2CA9CA7CA12
SCHEMBL1793545 0.78 ALDH1A1 (0.45) CA1CA2CA9CA7CA12
SCHEMBL1794491 0.77 CA12 (0.43) CA1CA2CA9CA7CA12
SCHEMBL1794492 0.77 CA12 (0.43) CA1CA2CA9CA7CA12
SCHEMBL1791608 0.77 MMP2 (0.49) CA1CA2CA9CA7CA12

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.