SCHEMBL12543716

SCHEMBL12543716

CC(C)(C)C(C)(C)NC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
EPHX2 P34913 4/20 0.40
KDM1A O60341 1/20 0.40
EPHX1 P07099 1/20 0.40
FABP6 P51161 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12404039 0.85 TP53 (0.46) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL477234 0.76 TP53 (0.39) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL12404082 0.76 TP53 (0.41) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL26309055 0.76 TP53 (0.41) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL12404074 0.76 TP53 (0.41) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL5344959 0.74 TP53 (0.50) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL12566661 0.73 CA12 (0.39)
SCHEMBL12566333 0.73 CA12 (0.39)
SCHEMBL29259766 0.72 TP53 (0.48) TP53EPHX2KDM1AEPHX1FABP6
SCHEMBL12820051 0.72 TP53 (0.48) TP53EPHX2KDM1AEPHX1FABP6

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-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735430-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-8299103-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299103-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 US disclosed
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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-20130030022-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TP53 4860/4885EPHX2 900/4885KDM1A 3646/4885
US-20110136869-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TP53 4860/4885EPHX2 900/4885KDM1A 3646/4885

“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.