SCHEMBL775447

SCHEMBL775447

C=C(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.48
CNR1 P21554 6/20 0.48
GCK P35557 1/20 0.41
CLK1 P49759 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PHGDH O43175 1/20 0.36

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
SCHEMBL12827789 0.85 CNR2 (0.41) CNR2CNR1GCKL3MBTL1ALDH1A1
SCHEMBL1465302 0.84 CNR2 (0.52) CNR2CNR1MAPK1ALDH1A1MAPT
SCHEMBL1464619 0.78 ABL1 (0.56) CNR2CNR1CLK1MAPK1ALDH1A1
SCHEMBL13062829 0.76 L3MBTL1 (0.41) GCKL3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL10066902 0.76 CNR2 (0.56) CNR2CNR1MAPTPHGDH
SCHEMBL1464350 0.74 NPC1 (0.52) CNR2CNR1MAPK1ALDH1A1MAPT
SCHEMBL1463873 0.74 CNR2 (0.46) CNR2CNR1MAPK1ALDH1A1MAPT
SCHEMBL1463902 0.74 RAB9A (0.47) CNR2CNR1GCKMAPK1ALDH1A1
SCHEMBL12095597 0.73 GCK (0.52) CNR2GCKMAPK1ALDH1A1MAPT
SCHEMBL1463577 0.73 CNR2 (0.56) CNR2CNR1MAPK1ALDH1A1MAPT

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 2/4885GCK 2962/4885

“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.