SCHEMBL5134825

SCHEMBL5134825

CCC(=O)NS(=O)(=O)c1ccc(C2=COC(=O)C2c2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.43
ERBB2 P04626 10/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PTGS2 P35354 2/20 0.40
NR4A2 P43354 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEP1B Q16820 1/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5134484 0.89 PTGS2 (0.48) EGFRERBB2CA1CA2PTGS2
SCHEMBL5101725 0.88 CA2 (0.53) EGFRERBB2CA1CA2CA12
SCHEMBL5994743 0.79 PTGS2 (0.47) PTGS2
SCHEMBL3248192 0.78 MAOA (0.48) CA1CA2CA9PTGS2
SCHEMBL15650208 0.66 ALDH1A1 (0.69) CA1CA2CA12CA9ALDH1A1
SCHEMBL3928646 0.66 EGFR (0.68) EGFRERBB2CA1CA2CA12
SCHEMBL7968587 0.65 PTGS2 (0.45) CA1CA2CA12CA9PTGS2
SCHEMBL2644701 0.65 KDM1A (0.34) ALDH1A1SMN1; SMN2
SCHEMBL7969578 0.65 EGFR (0.60) EGFRERBB2CA1CA2PTGS2
SCHEMBL27319210 0.64 CA1 (0.60) EGFRERBB2CA1CA2CA12

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 9 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
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 EGFR 3463/4885ERBB2 1047/4885CA1 2057/4885
US-20050032851-A1 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PTGS2, PTGES2, PTGES EGFR 3429/4885ERBB2 989/4885CA1 2425/4885

“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.