SCHEMBL435256

SCHEMBL435256

Cn1nc(C(C)(C)C)cc1NCC(C)(C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.64
MAPK14 Q16539 12/20 0.53
MAPK11 Q15759 3/20 0.53
MAPT P10636 2/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
LMNA P02545 2/20 0.45
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
CNR1 P21554 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
SCHEMBL469410 0.78 CNR2 (1.00) CNR2MAPK14MAPK11MAPTMAPK13
SCHEMBL17226846 0.77 MAPK14 (0.52) CNR2MAPK14MAPK11MAPTMAPK13
SCHEMBL469318 0.74 MAPK14 (0.51) CNR2MAPK14MAPTCNR1
SCHEMBL15121174 0.72 CNR2 (0.63) CNR2MAPK14MAPTCNR1
SCHEMBL1465025 0.71 CNR2 (0.64) CNR2MAPK14MAPK11MAPTMAPK13
SCHEMBL13186123 0.70 MAPK14 (0.48) CNR2MAPK14MAPK11MAPTMAPK13
SCHEMBL12095619 0.70 CNR2 (0.62) CNR2MAPK14MAPK11MAPTMAPK13
SCHEMBL66874 0.69 MAPK14 (1.00) MAPK14MAPK11MAPTMAPK13MAPK12
SCHEMBL352451 0.68 CNR2 (0.66) CNR2MAPK14MAPK11MAPTMAPK13
SCHEMBL1464857 0.68 CNR2 (0.82) CNR2MAPK14MAPK11MAPTMAPK13

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-2595959-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-11-04 EP disclosed
EP-2595959-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-11-04 EP disclosed
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-2595959-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-05-29 EP disclosed
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 WO disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 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-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 CNR2 1/4885MAPK14 1495/4885MAPK11 1145/4885

“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.