SCHEMBL3228727

SCHEMBL3228727

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2F)=C(c2ccc(F)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.46
PTGS1 P23219 13/20 0.46
KIT P10721 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6993214 0.91 PTGS2 (0.42) PTGS2PTGS1CA12CA1CA2
SCHEMBL3231323 0.91 PTGS2 (0.41) PTGS2PTGS1KITCA12CA1
SCHEMBL7003323 0.90 PTGS2 (0.46) PTGS2PTGS1CA12CA1CA2
SCHEMBL6999885 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7001634 0.89 CA1 (0.41) PTGS2PTGS1KITCA12CA1
SCHEMBL7001070 0.89 PTGS2 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL7001723 0.88 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL6993926 0.87 CA1 (0.40) PTGS2PTGS1KITCA12CA1
SCHEMBL6992672 0.85 PTGS2 (0.51) PTGS2PTGS1MAOAMAOB
SCHEMBL7002057 0.84 CA1 (0.40) PTGS2PTGS1CA12CA1CA2

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
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

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 4/4885KIT 2177/4885
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE PTGS2, CA2, PTGES2 PTGS2 1/4885PTGS1 4/4885KIT 2177/4885

“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.