SCHEMBL6281607

SCHEMBL6281607

CC(C)(C(=O)O)c1ccc(CNS(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.59
▸ SLC2A1 P11166 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.53
▸ PAX8 Q06710 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NR3C2 P08235 1/20 0.47

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
SCHEMBL6276329 0.86 NAMPT (0.68) NAMPTSLC2A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6282566 0.84 NAMPT (0.57) NAMPTSLC2A1ALDH1A1PAX8SMN1; SMN2
SCHEMBL18725052 0.80 KEAP1 (0.71) NAMPTPAX8SMN1; SMN2LMNAMAPT
SCHEMBL534569 0.78 LMNA (0.63) NAMPTPAX8SMN1; SMN2LMNANR3C2
SCHEMBL28391735 0.77 NAMPT (0.49) NAMPTSLC2A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL750261 0.76 MEN1 (0.58) NAMPTPAX8SMN1; SMN2LMNAMAPT
SCHEMBL533757 0.76 LMNA (0.56) NAMPTALDH1A1PAX8SMN1; SMN2LMNA
SCHEMBL15651151 0.76 CA12 (0.59) NAMPTALDH1A1PAX8SMN1; SMN2LMNA
SCHEMBL12469095 0.76 NAMPT (0.91) NAMPTSLC2A1ALDH1A1
SCHEMBL28413113 0.76 NAMPT (0.64) NAMPTALDH1A1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1625549-A Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid PFIZER PROD INC (US) 2005-06-08 — — CN 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 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
CN-1625549-A Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid PFIZER PROD INC (US) 2005-06-08 — — CN disclosed
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 NAMPT 2536/4885SLC2A1 2029/4885ALDH1A1 128/4885

“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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