SCHEMBL3788932

SCHEMBL3788932

CCOC(=O)C(C)(C)S(=O)(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.35
MMP8 P22894 2/20 0.35
KDM4E B2RXH2 2/20 0.34
EPHX1 P07099 1/20 0.34
CCR8 P51685 5/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3782901 0.94 LMNA (0.44) LMNAALDH1A1EPHX1CCR8MAPT
SCHEMBL3783558 0.92 LMNA (0.46) LMNAALDH1A1EPHX1CCR8MAPT
SCHEMBL3779338 0.90 MAPT (0.36) POLBLMNAALDH1A1CCR8MAPT
SCHEMBL2886966 0.76 ALDH1A1 (0.44) POLBLMNAALDH1A1MAPTTSHR
SCHEMBL2886058 0.76 ALDH1A1 (0.44) POLBLMNAALDH1A1MAPTTSHR
SCHEMBL3782536 0.75 PKM (0.39) LMNAALDH1A1PKMMMP8KDM4E
SCHEMBL3778819 0.74 CA12 (0.41) LMNAALDH1A1EPHX1
SCHEMBL90848 0.73 POLB (0.41) POLBLMNAALDH1A1KDM4EHSD17B10
SCHEMBL3780021 0.72 MMP8 (0.44) POLBALDH1A1PKMMMP8KDM4E
SCHEMBL3779735 0.72 CA12 (0.41) ALDH1A1PKMMMP8KDM4EEPHX1

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 POLB 4500/4885LMNA 4481/4885ALDH1A1 1785/4885

“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.