SCHEMBL6025883

SCHEMBL6025883

BrCc1ccc(C2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1D P28221 1/20 0.35
TEAD1 P28347 1/20 0.35
CTSC P53634 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKAB2 O43741 3/20 0.35
PRKAG1 P54619 3/20 0.35
PRKAA2 P54646 3/20 0.35
PRKAA1 Q13131 3/20 0.35
PRKAG3 Q9UGI9 3/20 0.35
PRKAG2 Q9UGJ0 3/20 0.35
PRKAB1 Q9Y478 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL20400434 0.89 PRMT5 (0.39) HRH3KCNH2TEAD1PRKAB2PRKAG1
SCHEMBL17112798 0.85 ESR2 (0.42) TEAD1ALDH1A1TRPA1TSHRSPHK1
SCHEMBL249409 0.80 HRH3 (0.41) HRH3KCNH2HTR1DCTSCSMN1; SMN2
SCHEMBL12603832 0.80 HRH3 (0.41) HRH3KCNH2HTR1DCTSCSPHK1
SCHEMBL12733063 0.80 KCNH2 (0.41) HRH3KCNH2CTSCPRKAB2PRKAG1
SCHEMBL30142570 0.80 HRH3 (0.41) HRH3KCNH2HTR1DTEAD1CTSC
SCHEMBL4163040 0.79 HAO1 (0.42) HRH3KCNH2SMN1; SMN2ALDH1A1
SCHEMBL2020874 0.77 KDM1A (0.51) HRH3KCNH2SMN1; SMN2KDM1AMAOA
SCHEMBL15449220 0.76 ESR2 (0.57) HRH3ALDH1A1TRPA1TSHRSPHK1
SCHEMBL2248498 0.76 TSHR (0.41) SMN1; SMN2ALDH1A1TRPA1TSHR

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
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-0828736-A1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996038442-A1 SUBSTITUTED SULFONYLPHENYLHETEROCYCLES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 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 HRH3 2035/4885KCNH2 2872/4885HTR1D 1185/4885
US-20020086886-A1 Substituted sulfonylphenylheterocycles as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, PTGES2, PTGS2 HRH3 2060/4885KCNH2 1797/4885HTR1D 752/4885

“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.