SCHEMBL7910330

SCHEMBL7910330

CC(C)(C)OC(=O)c1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ GRM4 Q14833 9/20 0.49
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37

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
SCHEMBL7917124 0.76 GRM4 (0.62) LMNAHPGDGRM4CA12CA1
SCHEMBL109451 0.75 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL7918259 0.74 GRM4 (0.56) LMNAHPGDGRM4CA12CA1
SCHEMBL12044864 0.74 GRM4 (0.64) LMNAHPGDGRM4CA12CA1
Hydrogen Peroxide SCHEMBL28425777 0.73 TDP1 (0.64) LMNACA12CA1CA2CA9
SCHEMBL29199324 0.73 TDP1 (0.64) LMNACA12CA1CA2CA9
SCHEMBL260960 0.73 TDP1 (0.64) LMNACA12CA1CA2CA9
Hydrogen Peroxide SCHEMBL28474133 0.73 TDP1 (0.64) LMNACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL23276979 0.71 TDP1 (0.62) LMNACA12CA1CA2CA9
SCHEMBL6051152 0.71 TDP1 (0.62) LMNACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658650-B2 Substituted 1,1,3,1-tetraoxidobenzo[D][1,3,2]dithiazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY 2014-02-25 — — US disclosed
US-8658650-B2 Substituted 1,1,3,1-tetraoxidobenzo[D][1,3,2]dithiazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY 2014-02-25 — — US disclosed
US-8658650-B2 Substituted 1,1,3,1-tetraoxidobenzo[D][1,3,2]dithiazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY 2014-02-25 — — US disclosed
US-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-12-29 — — US disclosed
US-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-12-29 — — US disclosed
US-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-12-29 — — US disclosed
WO-2010088406-A1 SUBSTITUTED 1,1,3,3-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2010-08-05 — — WO 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-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM1, GRM4, GRIK4 LMNA 4879/4885HPGD 2632/4885GRM4 2/4885

“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.

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