SCHEMBL2865420

SCHEMBL2865420

Cc1ccc(S(=O)(=O)c2cc(C)ccc2S([O])(=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.56
▸ RAPGEF4 Q8WZA2 1/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ CNR1 P21554 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 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
SCHEMBL29880911 0.83 GAA (0.54) GAARAPGEF4MEN1KMT2ACNR2
SCHEMBL11496596 0.83 CA2 (0.55) GAARAPGEF4MEN1KMT2AL3MBTL1
SCHEMBL10884195 0.83 GAA (0.54) GAARAPGEF4MEN1KMT2ACNR2
SCHEMBL7146564 0.83 GAA (0.54) GAARAPGEF4MEN1KMT2AHTT
Potassium Ion SCHEMBL2503311 0.81 GAA (0.52) GAARAPGEF4MEN1KMT2ACNR2
SCHEMBL11127859 0.80 GAA (0.60) GAARAPGEF4MEN1KMT2AHTT
SCHEMBL11179994 0.80 RAPGEF4 (0.62) GAARAPGEF4MEN1KMT2AHTT
SCHEMBL6142648 0.77 GAA (0.56) GAARAPGEF4MEN1KMT2AHTT
SCHEMBL9818407 0.77 GAA (0.56) GAARAPGEF4MEN1KMT2ATDP1
SCHEMBL9001313 0.77 L3MBTL1 (0.63) GAARAPGEF4MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 — — US disclosed
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 — — US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 — — US disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 — — US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 — — 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 (2 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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT GAA 3971/4885RAPGEF4 4230/4885MEN1 1270/4885
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors HTR5A, HTR2C, HTR2A GAA 2847/4885RAPGEF4 3909/4885MEN1 2805/4885

“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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