SCHEMBL6283652

SCHEMBL6283652

CC(C)(CO)c1ccc(CNS(=O)(=O)c2ccc[n+]([O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ CCR9 P51686 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL6282566 0.79 NAMPT (0.57) ALDH1A1SLC2A1NAMPT
SCHEMBL996096 0.71 NAMPT (0.64) ALDH1A1SLC2A1NAMPTHTTGAA
SCHEMBL12982899 0.70 KEAP1 (0.69) HDAC3HDAC8HDAC6CA12CA9
SCHEMBL23052525 0.70 CA12 (0.63) HDAC3HDAC8HDAC6CA12CA9
SCHEMBL4919261 0.67 HDAC6 (0.79) HDAC3HDAC8HDAC6ALDH1A1HPGD
SCHEMBL29019360 0.66 HDAC3 (0.68) HDAC3HDAC8HDAC6CA12CA9
SCHEMBL11664637 0.65 ALDH1A1 (0.62) ALDH1A1HPGDHTTGAATSHR
SCHEMBL12078791 0.65 HDAC3 (0.78) HDAC3HDAC8HDAC6CA1CA2
SCHEMBL6276329 0.65 NAMPT (0.68) HDAC3HDAC8HDAC6ALDH1A1HPGD
SCHEMBL13895345 0.65 KEAP1 (0.76) CA12CA9CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852863-B2 Metabolites of (3-{[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid PFIZER INC. (US) 2005-02-08 — — US claimed
EP-1470109-A1 METABOLITES OF (3- [(4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL -PHENOXY)-ACETIC ACID Pfizer Products Inc. (US) 2004-10-27 — — EP claimed
US-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid CAMERON KIMBERLY O (US) 2003-11-20 — — US claimed
WO-2003064391-A1 METABOLITES OF (3-{[4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL}-PHENOXY)-ACETIC ACID PFIZER PRODUCTS INC. (US) 2003-08-07 — — WO claimed
US-6852863-B2 Metabolites of (3-{[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid PFIZER INC. (US) 2005-02-08 — — US disclosed
EP-1470109-A1 METABOLITES OF (3- [(4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL -PHENOXY)-ACETIC ACID Pfizer Products Inc. (US) 2004-10-27 — — EP disclosed
US-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid CAMERON KIMBERLY O (US) 2003-11-20 — — US disclosed
WO-2003064391-A1 METABOLITES OF (3-{[4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL}-PHENOXY)-ACETIC ACID PFIZER PRODUCTS INC. (US) 2003-08-07 — — 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-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid ABAT, BCAT2, PC HDAC3 56/4885HDAC8 994/4885HDAC6 805/4885

“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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