SCHEMBL4570733

SCHEMBL4570733

CC(C)(C)c1cc(N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2=O)no1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
CNR1 P21554 5/20 0.42
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
IDH1 O75874 1/20 0.33
PDE5A O76074 1/20 0.33
F10 P00742 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
SCHEMBL10999077 0.74 HTR7 (0.41) CNR2CNR1ALDH1A1HTR7SMN1; SMN2
SCHEMBL1787389 0.74 CNR2 (0.43) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL11000290 0.73 HTR7 (0.40) CNR2CNR1ALDH1A1HTR7SMN1; SMN2
SCHEMBL4570727 0.71 LMNA (0.42) ALDH1A1MAPK1LMNAF10
SCHEMBL11000448 0.71 HTR7 (0.39) CNR2CNR1ALDH1A1HTR7ALOX15
SCHEMBL1807873 0.70 CNR2 (0.49) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL13534491 0.70 PSEN1 (0.45) ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL11001379 0.69 CNR2 (0.43) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL12095761 0.67 CNR2 (0.61) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL12095569 0.65 CNR2 (0.59) CNR2CNR1CYP2C8CYP2C9CYP2C19

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 6 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
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-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

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 CNR2 1/4885CNR1 2/4885CYP2C8 463/4885

“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.