SCHEMBL5136415

SCHEMBL5136415

CC(=O)NS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SCN3A Q9NY46 2/20 0.46
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CA12 O43570 8/20 0.42
CA2 P00918 8/20 0.42
CA9 Q16790 8/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CA1 P00915 6/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 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
SCHEMBL5101725 0.88 CA2 (0.53) DHFRTSHRSMN1; SMN2TDP1PTGS2
SCHEMBL5134484 0.87 PTGS2 (0.48) PTGS2CA2CA1GAAL3MBTL1
SCHEMBL6376816 0.81 PTGS2 (0.45) PTGS2
SCHEMBL14168700 0.78 MMP2 (0.34) CA12CA2CA9CA1PKM
SCHEMBL5134825 0.77 EGFR (0.43) SMN1; SMN2PTGS2CA12CA2CA9
SCHEMBL16046136 0.76 MAPT (0.41) SMN1; SMN2KDM4ECA2CA1GAA
SCHEMBL15625449 0.74 PTGS2 (0.63) DHFRTSHRSMN1; SMN2TDP1SCN3A
SCHEMBL5327141 0.72 GAA (0.31) SMN1; SMN2GAA
SCHEMBL209632 0.71 DHFR (0.66) DHFRTSHRSMN1; SMN2TDP1SCN3A
Hydrochloric Acid SCHEMBL28654324 0.69 DHFR (0.63) DHFRTSHRSMN1; SMN2TDP1SCN3A

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
EP-1288206-B1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors SEARLE LLC (US) 2008-09-17 EP disclosed
US-7420061-B2 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION (US) 2008-09-02 US disclosed
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION 2005-02-10 US disclosed
US-6815460-B2 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2004-11-09 US disclosed
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2003-04-10 US disclosed
EP-1288206-A1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors G.D. SEARLE & CO. (US) 2003-03-05 EP disclosed
US-6436967-B1 PREFERENTIAL CYCLOOXYGENASE INHIBITORS USED AS INJECTABLE ANALGESIC AND ANTIINFLAMMATORY AGENTS HAVING REDUCED SIDE EFFECTS; ACYLATION PHARMACIA CORPORATION 2002-08-20 US disclosed
US-5932598-A NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS G. D. SEARLE & CO. (US) 1999-08-03 US disclosed
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP disclosed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 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 (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-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PTGS2, PTGES2, PTGES DHFR 160/4885TSHR 4428/4885SMN1; SMN2 3001/4885
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PTGS2, PTGES2, PTGES DHFR 193/4885TSHR 4382/4885SMN1; SMN2 2742/4885

“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.