SCHEMBL6281587

SCHEMBL6281587

CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(C(C)(C)CO)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 0.71
CA12 O43570 5/20 0.61
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA4 P22748 5/20 0.61
CA9 Q16790 5/20 0.61

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
SCHEMBL5046381 0.93 PTGER2 (0.82) PTGER2CA12CA1CA2CA4
SCHEMBL6276293 0.91 PTGER2 (0.85) PTGER2CA12CA1CA2CA4
SCHEMBL6276340 0.89 PTGER2 (0.65) PTGER2CA12CA1CA2CA4
SCHEMBL6281961 0.87 PTGER2 (0.67) PTGER2CA12CA1CA2CA4
SCHEMBL5046833 0.87 PTGER2 (0.66) PTGER2CA12CA1CA2CA4
SCHEMBL5049408 0.86 PTGER2 (0.65) PTGER2CA12CA1CA2CA4
SCHEMBL5043167 0.84 PTGER2 (0.64) PTGER2CA12CA1CA2CA4
SCHEMBL5046418 0.84 PTGER2 (0.62) PTGER2CA12CA1CA2CA4
SCHEMBL5140001 0.84 PTGER2 (0.81) PTGER2CA12CA1CA2CA4
SCHEMBL1147570 0.83 PTGER2 (0.81) PTGER2CA12CA1CA2CA4

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 2 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 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

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 PTGER2 3715/4885CA12 2546/4885CA1 1120/4885

“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.