SCHEMBL469315

SCHEMBL469315

CC(C)(C)c1cc(C(=O)NCC(C)(C)S(=O)(=O)CCCC(F)(F)F)on1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
CNR1 P21554 4/20 0.50
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK14 Q16539 1/20 0.33
BTK Q06187 2/20 0.33
MOGAT2 Q3SYC2 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGAT2 Q10469 2/20 0.31

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
SCHEMBL469411 0.83 CNR2 (0.61) CNR2CNR1ALDH1A1MAPK14RAF1
SCHEMBL17226863 0.79 CNR2 (0.53) CNR2CNR1ALDH1A1MAPK14
SCHEMBL15120352 0.76 POLB (0.45) CNR2POLBALDH1A1MAPK14BTK
SCHEMBL12519214 0.75 CNR2 (0.60) CNR2CNR1POLBALDH1A1MAPK14
SCHEMBL469292 0.72 CNR2 (0.69) CNR2CNR1ALDH1A1MAPK14
SCHEMBL15121201 0.72 POLB (0.50) CNR2POLBALDH1A1MAPK14BTK
SCHEMBL469412 0.71 CNR2 (0.48) CNR2CNR1POLBRAF1BRAF
SCHEMBL15121178 0.70 POLB (0.68) POLBALDH1A1RAF1LMNASMN1; SMN2
SCHEMBL12747057 0.69 ALDH1A1 (0.47) CNR2POLBALDH1A1MAPK14BTK
SCHEMBL469438 0.69 RAB9A (0.48) CNR2POLBALDH1A1MAPK14LMNA

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 CNR2 1/4885CNR1 2/4885POLB 4801/4885

“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.