SCHEMBL2224923

SCHEMBL2224923

CC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
CNR2 P34972 4/20 0.49
CNR1 P21554 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HPGD P15428 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CASR P41180 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12518058 0.86 CNR2 (0.51) NPC1RAB9APOLBCASP3SENP7
SCHEMBL9978037 0.85 CNR1 (0.51) NPC1RAB9APOLBCASP3SENP7
SCHEMBL12519209 0.82 CNR2 (0.55) POLBCNR2CNR1L3MBTL1HPGD
SCHEMBL9977997 0.82 NPC1 (0.50) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL9978172 0.81 POLB (0.56) NPC1RAB9APOLBCNR2CNR1
SCHEMBL12518241 0.76 CNR2 (0.53) NPC1RAB9ASMN1; SMN2CNR2CNR1
SCHEMBL6382771 0.76 MTNR1A (0.65) NPC1RAB9APOLBCASP3SENP7
SCHEMBL12518048 0.75 CNR2 (0.49) NPC1RAB9ASMN1; SMN2CNR2CNR1
SCHEMBL9978180 0.75 CNR2 (0.52) NPC1RAB9APOLBSMN1; SMN2CNR2
SCHEMBL16253015 0.74 MTNR1A (0.68) NPC1RAB9APOLBCASP3SENP7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
EP-2523936-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2012-11-21 EP disclosed
WO-2011088015-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 WO disclosed
WO-2011088015-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 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-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 NPC1 1253/4885RAB9A 2288/4885POLB 4200/4885

“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.