SCHEMBL352985

SCHEMBL352985

CC(C)(C)c1cc(C(=O)CN)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.36
ALPL P05186 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
MAPK1 P28482 1/20 0.32
HCAR3 P49019 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL2658376 0.80 PLA2G10 (0.44) HPGDTSHRLMNAALPLMAPK1
SCHEMBL1815054 0.79 ALPL (0.49) HPGDTSHRLMNAALPLMAPK1
SCHEMBL6211786 0.78 HPGD (0.40) HPGDTSHRLMNAALPLHCAR2
SCHEMBL894643 0.78 ALPL (0.50) HPGDTSHRALPLHCAR2HCAR3
Hydrochloric Acid SCHEMBL6444454 0.77 ALPL (0.49) HPGDTSHRALPLHCAR2HCAR3
SCHEMBL1455921 0.74 MAPK1 (0.61) LMNAALPLMAPK1MAPT
SCHEMBL574316 0.73 ALPL (0.52) HPGDLMNAALPLMAPK1KDM4E
SCHEMBL12930817 0.70 HPGD (0.55) HPGDTSHRLMNAALDH1A1MAPT
SCHEMBL27364050 0.69 HCAR3 (0.34) LMNAALPLHCAR2MAPK1HCAR3
SCHEMBL2797932 0.68 PLA2G10 (0.40) HPGDLMNAMAPK1HCAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 HPGD 1179/4885TSHR 1037/4885LMNA 4742/4885

“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.