SCHEMBL3784705

SCHEMBL3784705

CC(C)(C(=O)Nc1nc(C2CC2)cs1)S(=O)(=O)N1CCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.64
TMIGD3 P0DMS9 3/20 0.64
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CCR2 P41597 1/20 0.45
RORC P51449 1/20 0.44
ADORA2A P29274 2/20 0.41
GCK P35557 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
USP2 O75604 3/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3658323 0.96 TMIGD3 (0.58) ADORA1TMIGD3HTTLMNAKDM4E
SCHEMBL3659515 0.82 ATAD2 (0.53) HTTLMNAKDM4EATAD2KMT2A
SCHEMBL3655670 0.81 ATAD2 (0.43) ADORA1TMIGD3HTTLMNAKDM4E
SCHEMBL3662329 0.80 ROCK1 (0.50) HTTLMNAKDM4EUSP2KMT2A
SCHEMBL9892352 0.79 ADORA1 (1.00) ADORA1TMIGD3HTTLMNAKDM4E
SCHEMBL3661597 0.78 ABL1 (0.56) HTTLMNAKDM4ERORCUSP2
SCHEMBL3659482 0.78 KMT2A (0.52) HTTLMNAKDM4EUSP2KMT2A
SCHEMBL3655183 0.78 LMNA (0.59) HTTLMNAKDM4EUSP2KMT2A
SCHEMBL3659111 0.78 NPC1 (0.59) HTTLMNAKDM4EUSP2KMT2A
SCHEMBL3658990 0.77 LMNA (0.53) HTTLMNAKDM4EUSP2KMT2A

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 10 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
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 ADORA1 173/4885TMIGD3 1280/4885HTT 4438/4885

“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.