SCHEMBL6026012

SCHEMBL6026012

COC1(c2cc(F)cc(CC#COC#CCc3cc(F)cc(C4(OC)CCOCC4)c3)c2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.47
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL6748248 0.85 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL6024908 0.82 ALOX5 (0.40) ALOX5
SCHEMBL7481034 0.79 ALOX5 (0.53) ALOX5PTGS1PTGS2
SCHEMBL9367706 0.76 ALOX5 (0.50) ALOX5PTGS1PTGS2
SCHEMBL9027778 0.73 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL1598547 0.73 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL9047329 0.71 ALOX5 (0.46) ALOX5
SCHEMBL9210578 0.70 ALOX5 (0.57) ALOX5PTGS1PTGS2
SCHEMBL9229117 0.70 ALOX5 (0.60) ALOX5PTGS1PTGS2
SCHEMBL9367698 0.70 ALOX5 (0.47) ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998415-B2 Pyrazolyl derivatives; antiinflammatory agents for inflammation; antiallergens for asthma PHARMACIA CORPORATION (US) 2006-02-14 US disclosed
US-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2004-07-29 US disclosed
US-6677364-B2 ANTI-INFLAMMATORY, ANTIPYRETIC, ANALGESIC COMPOSITIONS G.D. SEARLE & CO. 2004-01-13 US disclosed
EP-0828736-B1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2003-07-30 EP disclosed
EP-0995747-B1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors SEARLE & CO (US) 2002-08-07 EP disclosed
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. 2002-07-04 US disclosed
EP-0995747-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors G.D. SEARLE & CO. (US) 2000-04-26 EP 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-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 ALOX5 1/4885PTGS1 9/4885PTGS2 6/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 ALOX5 1/4885PTGS1 8/4885PTGS2 3/4885

“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.