SCHEMBL1786451

SCHEMBL1786451

O=C1OCCC1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
PHGDH O43175 4/20 0.42
ACHE P22303 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP2 P08253 1/20 0.38
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL8236922 0.77 PKM (0.44) TSHRACHEPSEN1PSEN2APH1B
SCHEMBL8231928 0.76 CYP3A4 (0.41) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL1362802 0.76 CYP3A4 (0.41) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL8238219 0.74 CYP3A4 (0.39) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL2766918 0.73 ALDH1A1 (0.41) TSHRACHEPSEN1PSEN2APH1B
SCHEMBL8839698 0.73 CRHBP (0.47) PHGDHPSEN1PSEN2APH1BNCSTN
SCHEMBL1363511 0.73 HCRTR2 (0.41) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL8231608 0.73 TSHR (0.39) TSHRACHEPSEN1PSEN2APH1B
SCHEMBL8231610 0.72 DRD2 (0.40) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL13453192 0.72 DRD2 (0.40) TSHRACHEPSEN1PSEN2APH1B

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-2326629-B1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-10-02 EP disclosed
EP-2326629-B1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-10-02 EP disclosed
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
EP-2326629-A1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-06-01 EP disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
WO-2010005782-A1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 WO disclosed
WO-2010005782-A1 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 TSHR 1037/4885PHGDH 3284/4885ACHE 1105/4885

“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.