SCHEMBL3660028

SCHEMBL3660028

CC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)on1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CNR2 P34972 16/20 0.43
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
CNR1 P21554 9/20 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
SCHEMBL3655721 0.89 CNR2 (0.43) ALDH1A1LMNACNR2CNR1
SCHEMBL3659508 0.84 CNR2 (0.58) ALDH1A1CNR2MAPK14CNR1
SCHEMBL3659507 0.82 MAPK14 (0.45) CNR2MAPK14CNR1
SCHEMBL3660761 0.81 CNR2 (0.42) CNR2MAPK14RPS6KA2CNR1
SCHEMBL10217303 0.81 CNR2 (0.61) CNR2RPS6KA2CNR1
SCHEMBL3775573 0.80 RORC (0.47) SMN1; SMN2RPS6KA3RPS6KA2
SCHEMBL3658445 0.76 SMN1; SMN2 (0.41) ALDH1A1LMNACNR2SMN1; SMN2
SCHEMBL13015655 0.76 ALDH1A1 (0.60) ALDH1A1LMNACNR2MAPK14SMN1; SMN2
SCHEMBL3658045 0.76 CNR2 (0.56) ALDH1A1LMNACNR2SMN1; SMN2CNR1
SCHEMBL3656987 0.75 CNR2 (0.56) ALDH1A1LMNACNR2SMN1; SMN2CNR1

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 12 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
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO 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 ALDH1A1 1785/4885LMNA 4481/4885CNR2 1/4885

“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.