SCHEMBL352744

SCHEMBL352744

CC(C)(C)c1cc(-c2nnc(C(C)(C)S(=O)(=O)c3ccc(F)cc3)s2)on1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 2/20 0.31
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PTGS1 P23219 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL10146335 0.90 PTGS2 (0.36) PTGS2ALDH1A1HPGDHSD17B10
SCHEMBL352429 0.88 CNR2 (0.34) PTGS2ALDH1A1HPGDHSD17B10CNR2
SCHEMBL352702 0.84 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL352495 0.82 CNR1 (0.38) PTGS2ALDH1A1HPGDHSD17B10CNR2
SCHEMBL352561 0.78 KDM4E (0.37) PTGS2ALDH1A1HPGDHSD17B10CNR2
SCHEMBL352888 0.77 MAOA (0.36) PTGS2ALDH1A1HPGDHSD17B10CNR2
SCHEMBL10146122 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL350900 0.76 PTGS2 (0.36) PTGS2ALDH1A1HPGDHSD17B10CNR2
SCHEMBL350956 0.76 PTGS2 (0.34) PTGS2ALDH1A1HPGDHSD17B10CNR2
SCHEMBL352500 0.75 HDAC4 (0.41) PTGS2CNR2CNR1

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-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP claimed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US claimed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP claimed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 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 (1 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 PTGS2 263/4885ALDH1A1 2844/4885HPGD 1179/4885

“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.