SCHEMBL469318

SCHEMBL469318

CC(C)(C)c1cc(NCC(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.51
CNR2 P34972 8/20 0.45
CNR1 P21554 2/20 0.45
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAF1 P04049 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL15121174 0.81 CNR2 (0.63) MAPK14CNR2CNR1ALDH1A1MAPT
SCHEMBL17226848 0.77 MAPK14 (0.47) MAPK14CNR2CNR1ALDH1A1RAF1
SCHEMBL1465550 0.77 CNR2 (0.67) MAPK14CNR2CNR1ALDH1A1
SCHEMBL435256 0.74 CNR2 (0.64) MAPK14CNR2CNR1MAPT
SCHEMBL1787576 0.74 MAPK14 (0.56) MAPK14CNR2CNR1ALDH1A1
SCHEMBL469297 0.71 CNR2 (0.54) CNR2CNR1ALDH1A1
SCHEMBL11736866 0.69 ALDH1A1 (0.61) MAPK14CNR2CNR1ALDH1A1RAF1
SCHEMBL432965 0.69 CNR2 (0.55) CNR2CNR1ALDH1A1
SCHEMBL13199941 0.68 MAPK14 (0.65) MAPK14CNR2CNR1ALDH1A1
SCHEMBL10171346 0.68 CNR2 (0.60) MAPK14CNR2CNR1

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 5 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
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
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

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 MAPK14 1495/4885CNR2 1/4885CNR1 2/4885

“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.