Sugi Predict

Sugi Predict / Compounds / SCHEMBL7184773

SCHEMBL7184773

SCHEMBL7184773

CCc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1.CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.47
▸ MT-CO2 P00403 3/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ RORC P51449 1/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ PDE4A P27815 1/20 0.38

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
SCHEMBL8160849 0.97 PTGS2 (0.45) PTGS2MT-CO2NR4A2RORCCA12
SCHEMBL212638 0.82 PTGS2 (0.66) PTGS2MT-CO2CA12CA1CA2
SCHEMBL24334884 0.82 PTGS2 (0.66) PTGS2MT-CO2CA12CA1CA2
SCHEMBL3308721 0.81 PTGS2 (0.55) PTGS2MT-CO2NR4A2CA12CA1
SCHEMBL8479643 0.80 TSHR (0.46) RORCALDH1A1NPSR1TSHRMAPK1
SCHEMBL8473983 0.77 HSD11B1 (0.43) NPSR1TSHRMAPK1
SCHEMBL8481482 0.76 TSHR (0.45) CA12CA1CA2LMNACA9
SCHEMBL5071822 0.75 PTGS2 (0.74) PTGS2MT-CO2NR4A2CA12CA1
SCHEMBL4619886 0.75 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8478994 0.75 ALDH1A1 (0.48) PTGS2MT-CO2NR4A2ALDH1A1NPSR1

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
JP-2001527542-A — — 2001-12-25 — — JP claimed
EP-1140181-A1 COMBINATION THERAPY OF RADIATION AND A COX-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 — — EP claimed
WO-2000038716-A1 COMBINATION THERAPY OF RADIATION AND A COX-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 — — WO claimed
EP-0979077-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. Searle & Co. (US) 2000-02-16 — — EP claimed
WO-1998047509-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1998-10-29 — — WO claimed
WO-1998016227-A9 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA — 1998-07-30 — — WO claimed
EP-0833664-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4? RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1998-04-08 — — EP claimed
WO-1996041645-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1996-12-27 — — WO claimed
EP-1365753-A2 UROGUANYLIN AND CYCLOOXYGENASE-2 INHIBITOR COMBINATIONS FOR INHIBITION OF INTESTINAL CANCER Pharmacia Corporation (US) 2003-12-03 — — EP disclosed
WO-2002062369-A2 UROGUANYLIN AND CYCLOOXYGENASE-2 INHIBITOR COMBINATIONS FOR INHIBITION OF INTESTINAL CANCER PHARMACIA CORPORATION (US) 2002-08-15 — — WO disclosed
WO-1998016227-A9 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA — 1998-07-30 — — WO disclosed