SCHEMBL7917124

SCHEMBL7917124

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.62
▸ HPGD P15428 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ SCN2A Q99250 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ DAO P14920 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ SRD5A2 P31213 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7918259 0.84 GRM4 (0.56) GRM4HPGDLMNACA12CA1
SCHEMBL9985934 0.81 CA12 (0.47) GRM4HPGDCA12CA1CA2
SCHEMBL12044864 0.80 GRM4 (0.64) GRM4HPGDLMNACA12CA1
SCHEMBL7910330 0.76 LMNA (0.51) GRM4HPGDLMNACA12CA1
SCHEMBL7910551 0.75 CA12 (0.62) GRM4HPGDLMNACA12CA1
SCHEMBL12044861 0.73 LMNA (1.00) GRM4HPGDLMNASCN2ANAPRT
Terephthalic Acid SCHEMBL4961359 0.70 TSHR (0.93) CA12CA1CA2CA9TSHR
Benzoic Acid SCHEMBL5050961 0.70 TSHR (0.93) CA12CA1CA2CA9TSHR
Terephthalic Acid SCHEMBL21443891 0.69 TSHR (0.92) CA12CA1CA2CA9TSHR
Terephthalic Acid SCHEMBL1010632 0.69 TSHR (0.92) CA12CA1CA2CA9TSHR

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 GRM4 2/4885HPGD 2632/4885LMNA 4879/4885

“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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