SCHEMBL5861877

SCHEMBL5861877

COCCOCCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 5/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.34
S1PR3 Q99500 1/20 0.34
PTGS1 P23219 2/20 0.34
SNCA P37840 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL8664631 1.00 AOC2 (0.36) AOC2ALDH1A1PTGS2CA2CA12
SCHEMBL9010034 0.94 PTGS2 (0.38) ALDH1A1PTGS2S1PR3PTGS1SNCA
SCHEMBL872698 0.92 ALDH1A1 (0.38) AOC2ALDH1A1CA2CA12CA1
SCHEMBL29006523 0.88 PTGS2 (0.45) PTGS2S1PR3PTGS1SNCA
SCHEMBL10317771 0.87 S1PR3 (0.37) ALDH1A1HTTS1PR3SNCAPTGER4
SCHEMBL900004 0.87 GAA (0.38) ALDH1A1PTGS2HTTS1PR3PTGS1
SCHEMBL1607370 0.86 S1PR3 (0.43) ALDH1A1PTGS2CA2CA12CA1
SCHEMBL8750988 0.84 S1PR3 (0.41) ALDH1A1HTTS1PR3PTGER4
SCHEMBL10596213 0.82 ALDH1A1 (0.41) ALDH1A1CA2CA12CA1HTT
SCHEMBL14915169 0.81 S1PR3 (0.41) AOC2ALDH1A1HTTS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 AOC2 71/4885ALDH1A1 838/4885PTGS2 1932/4885

“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.