SCHEMBL3782901

SCHEMBL3782901

CCOC(=O)C(C)(C)S(=O)(=O)NC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.39
CCR8 P51685 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3783558 0.98 LMNA (0.46) LMNAALDH1A1THRBATML3MBTL1
SCHEMBL3788932 0.94 POLB (0.41) LMNAALDH1A1MAPTTSHRGAA
SCHEMBL3779338 0.87 MAPT (0.36) LMNAALDH1A1MAPTTSHRCCR8
SCHEMBL3776020 0.76 CA1 (0.43) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL1619640 0.76 ALDH1A1 (0.35) LMNAALDH1A1THRBATML3MBTL1
SCHEMBL3771868 0.75 CA1 (0.47) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL1621536 0.74 ALDH1A1 (0.37) LMNAALDH1A1THRBATML3MBTL1
SCHEMBL3780021 0.73 MMP8 (0.44) ALDH1A1THRBATMMAPTTSHR
SCHEMBL3782536 0.73 PKM (0.39) LMNAALDH1A1THRBATML3MBTL1
SCHEMBL15106346 0.72 THRB (0.47) LMNAALDH1A1THRBATML3MBTL1

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-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 LMNA 4481/4885ALDH1A1 1785/4885THRB 565/4885

“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.