SCHEMBL6025964

SCHEMBL6025964

NCCc1nc(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.55
RXRA P19793 7/20 0.54
RXRB P28702 7/20 0.54
PTGS2 P35354 5/20 0.54
RXRG P48443 4/20 0.54
NR4A1 P22736 3/20 0.54
NR4A3 Q92570 3/20 0.54
PTGS1 P23219 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ABCC4 O15439 1/20 0.54
C5 P01031 1/20 0.54
LMNA P02545 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
TBXA2R P21731 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL8547088 0.93 NR4A2 (0.56) NR4A2RXRARXRBPTGS2RXRG
Trifluoroacetic Acid SCHEMBL6025821 0.91 RXRA (0.55) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7499819 0.89 CA1 (0.60) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7503160 0.89 NR4A2 (0.54) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7498736 0.89 CA1 (0.60) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL8550570 0.89 NR4A2 (0.57) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL8547030 0.89 NR4A2 (0.57) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7501479 0.89 NR4A2 (0.54) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL5732078 0.86 RXRA (0.76) NR4A2RXRARXRBPTGS2RXRG
SCHEMBL7505591 0.86 NR4A2 (0.55) NR4A2RXRARXRBPTGS2RXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 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-20040147565-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 NR4A2 655/4885RXRA 1984/4885RXRB 1652/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 NR4A2 763/4885RXRA 1426/4885RXRB 1136/4885

“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.