SCHEMBL3776842

SCHEMBL3776842

COC1CCN(S(=O)(=O)C(C)(C)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
APEX1 P27695 1/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3770086 0.80 MAPT (0.39) HSD11B1TP53ALDH1A1MAPTLMNA
SCHEMBL3779333 0.76 ALDH1A1 (0.38) ALDH1A1MAPTLMNAPOLBNPC1
SCHEMBL1691109 0.76 GAA (0.35) ALDH1A1MAPTLMNAPOLBNPC1
SCHEMBL3777234 0.75 KDM4E (0.33) TP53ALDH1A1KDM4EPOLB
SCHEMBL3777235 0.75 KDM4E (0.33) TP53ALDH1A1KDM4EPOLB
SCHEMBL3778707 0.74 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKMT2AHPGD
SCHEMBL766807 0.72 CNR2 (0.32) HSD11B1CNR1CNR2
SCHEMBL10171735 0.72 CNR2 (0.32) HSD11B1CNR1CNR2
SCHEMBL2184860 0.72 CNR2 (0.32) HSD11B1CNR1CNR2
SCHEMBL3411335 0.72 HSD11B1 (0.42) HSD11B1TP53ALDH1A1MAPTKCNH2

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 8 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
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HSD11B1 1274/4885TP53 4860/4885ALDH1A1 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.