SCHEMBL10066902

SCHEMBL10066902

C=C(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(F)cc2)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.56
CNR1 P21554 5/20 0.48
PHGDH O43175 4/20 0.41
AOC3 Q16853 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
MAPT P10636 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
SCHEMBL14299985 0.89 CNR2 (0.56) CNR2CNR1
SCHEMBL12827538 0.85 CNR2 (0.48) CNR2CNR1
SCHEMBL1465546 0.84 CNR2 (0.78) CNR2CNR1PHGDHMAPT
SCHEMBL12827709 0.82 CNR2 (0.46) CNR2CNR1ABCC9ABCC8KCNJ11
SCHEMBL14299743 0.81 CNR2 (0.53) CNR2CNR1MAPT
SCHEMBL13062811 0.76 CNR2 (0.41) CNR2MAPT
SCHEMBL775447 0.76 CNR2 (0.48) CNR2CNR1PHGDHMAPT
SCHEMBL3969896 0.75 CNR2 (0.61) CNR2CNR1PHGDHMAPT
SCHEMBL1463951 0.74 CNR2 (0.67) CNR2CNR1ABCC9ABCC8KCNJ11
SCHEMBL1464598 0.74 CNR2 (0.78) CNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329735-B2 Tetrazole compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-11 US disclosed
US-20120071529-A1 Tetrazole Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-22 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-20120071529-A1 Tetrazole Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885PHGDH 4270/4885

“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.