SCHEMBL3659515

SCHEMBL3659515

CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.53
CNR2 P34972 1/20 0.47
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL3655670 0.91 ATAD2 (0.43) ATAD2CNR2NPC1RAB9AKMT2A
SCHEMBL3784705 0.82 ADORA1 (0.64) ATAD2CNR2NPC1RAB9AKMT2A
SCHEMBL3662329 0.81 ROCK1 (0.50) KMT2AALDH1A1MEN1SMN1; SMN2MAPK1
SCHEMBL3658323 0.81 TMIGD3 (0.58) ATAD2RAB9AKMT2AALDH1A1MEN1
SCHEMBL1619480 0.80 ATAD2 (0.55) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1621451 0.79 ATAD2 (0.53) ATAD2NPC1RAB9AKMT2AALDH1A1
SCHEMBL3659482 0.79 KMT2A (0.52) KMT2AALDH1A1MEN1SMN1; SMN2MAPK1
SCHEMBL3655183 0.79 LMNA (0.59) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL3661597 0.79 ABL1 (0.56) RAB9AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3659111 0.78 NPC1 (0.59) NPC1RAB9AKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US claimed
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO claimed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ATAD2 3872/4885CNR2 1/4885NPC1 1315/4885

“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.