SCHEMBL4570740

SCHEMBL4570740

CC(CCO)(C(=O)Nc1nc(-c2ccccc2)ns1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
LMNA P02545 5/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
ADORA3 P0DMS8 9/20 0.54
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
USP36 Q9P275 2/20 0.48
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL4570741 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL1465115 0.86 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL4066714 0.77 CNR2 (0.57) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL9891525 0.74 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL4570742 0.74 ADORA3 (0.56) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL4064491 0.73 MEN1 (0.52) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL5405087 0.70 LMNA (0.61) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL9852376 0.70 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL1788099 0.69 CNR2 (0.72) SMN1; SMN2NPC1RAB9APOLBHTT
SCHEMBL1787576 0.69 MAPK14 (0.56) CNR1CNR2

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
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 SMN1; SMN2 3898/4885NPC1 2376/4885RAB9A 2796/4885

“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.