SCHEMBL3225842

SCHEMBL3225842

Cc1cc(C2=C(c3cccc(F)c3)C(=O)C(C)(C)O2)ccc1S(N)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PTGS1 P23219 5/20 0.47
PGR P06401 3/20 0.40
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BRAF P15056 1/20 0.35
PDIA6 Q15084 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL3227515 0.91 PTGS2 (0.47) PTGS2PTGS1PGRBRAFTNKS2
SCHEMBL7001431 0.90 PTGS2 (0.46) PTGS2PTGS1PGRBRAF
SCHEMBL6999265 0.90 PTGS2 (0.53) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL6999166 0.90 PTGS2 (0.39) PTGS2PTGS1PGRBRAFPDIA6
SCHEMBL3232556 0.89 PTGS2 (0.45) PTGS2PTGS1PGRBRAF
SCHEMBL6995305 0.87 MAOB (0.41) PTGS2PTGS1PDIA6CA1CA2
Polmacoxib SCHEMBL3233093 0.85 PTGS2 (0.55) PTGS2PTGS1PGRCA1CA2
Polmacoxib SCHEMBL29351757 0.85 PTGS2 (0.55) PTGS2PTGS1PGRCA1CA2
SCHEMBL6996672 0.83 PTGS2 (0.51) PTGS2PTGS1PGR
SCHEMBL6997576 0.83 PTGS2 (0.53) PTGS2PTGS1PGRBRAFTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE AMOREPACIFIC CORPORATION (KR) 2010-03-18 US claimed
WO-2005094815-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE AMOREPACIFIC CORPORATION (KR) 2005-10-13 WO claimed
US-20050222251-A1 Dual inhibition of cyclooxygenase-2 and carbonic anhydrase AMOREPACIFIC CORPORATION 2005-10-06 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE AMOREPACIFIC CORPORATION (KR) 2010-03-18 US disclosed
WO-2005094815-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE AMOREPACIFIC CORPORATION (KR) 2005-10-13 WO disclosed
US-20050222251-A1 Dual inhibition of cyclooxygenase-2 and carbonic anhydrase AMOREPACIFIC CORPORATION 2005-10-06 US disclosed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 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-20050222251-A1 Dual inhibition of cyclooxygenase-2 and carbonic anhydrase PTGS2, CA2, PTGES2 PTGS2 1/4885PTGS1 4/4885PGR 3427/4885
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE PTGS2, CA2, PTGES2 PTGS2 1/4885PTGS1 4/4885PGR 3427/4885

“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.