SCHEMBL1464580

SCHEMBL1464580

CC(C)(C)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.64
CNR1 P21554 4/20 0.64
ATM Q13315 2/20 0.56
MAPT P10636 5/20 0.55
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.49
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1464300 0.96 CNR2 (0.61) CNR2CNR1ATMMAPTHTT
SCHEMBL1463871 0.87 CNR2 (0.65) CNR2CNR1MAPTHPGDALDH1A1
SCHEMBL1463652 0.83 CNR2 (0.62) CNR2CNR1MAPTHPGDGAA
SCHEMBL1464255 0.81 CNR2 (0.60) CNR2CNR1MAPTHPGDLMNA
SCHEMBL3959595 0.79 CNR1 (0.47) CNR2CNR1ATMMAPTHTT
SCHEMBL469406 0.78 CNR2 (1.00) CNR2CNR1ATMMAPTHTT
SCHEMBL3965100 0.76 CNR2 (0.46) CNR2CNR1ATMMAPTHTT
SCHEMBL1463607 0.76 ATM (0.55) ATMMAPTHTTLMNAALDH1A1
SCHEMBL12095761 0.76 CNR2 (0.61) CNR2CNR1ATMMAPTHTT
SCHEMBL3965097 0.75 CNR2 (0.45) CNR2CNR1ATMMAPTLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US claimed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 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 (2 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ATM 4417/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ATM 4436/4885

“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.