SCHEMBL3784128

SCHEMBL3784128

CCNS(=O)(=O)C(C)(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.32
KDM4C Q9H3R0 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL3782569 0.83 CA12 (0.45) CA12CA9ALDH1A1KDM4CCYP2C19
SCHEMBL3786495 0.79 CA12 (0.48) CA12CA9KDM4C
SCHEMBL3779377 0.77 ATM (0.44) CA12CA9ALDH1A1TSHRCYP2D6
SCHEMBL3782536 0.75 PKM (0.39) ALDH1A1TSHRLMNA
SCHEMBL3781129 0.75 ALDH1A1 (0.33) CA12CA9ALDH1A1TSHRLMNA
SCHEMBL2004946 0.72 CA1 (0.33) CA12ALDH1A1
SCHEMBL1619351 0.70 TSHR (0.38) ALDH1A1TSHRKDM4CCYP2D6CYP2C19
SCHEMBL6673451 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL25008100 0.69 EPHX1 (0.39) ALDH1A1
SCHEMBL19312138 0.69 TSHR (0.36) ALDH1A1TSHRKDM4CCYP2D6CYP2C19

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 CA12 3771/4885CA9 3654/4885ALDH1A1 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.