SCHEMBL12824344

SCHEMBL12824344

CC(C)CCS(=O)(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.31

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
SCHEMBL12161395 0.85 LMNA (0.35)
SCHEMBL12155293 0.80 CNR2 (0.35) CNR2
SCHEMBL10171155 0.80 CNR2 (0.35) CNR2
SCHEMBL6890613 0.77 CNR2 (0.33) CNR2GAA
SCHEMBL21839147 0.77 CNR2 (0.33) CNR2GAA
SCHEMBL15961319 0.77
SCHEMBL18876671 0.76
SCHEMBL1691057 0.75 CNR2 (0.44) CNR2
SCHEMBL14647246 0.73 CNR2 (0.43) CNR2
SCHEMBL2303404 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
WO-2011037795-A1 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 WO disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA CNR2 56/4885GAA 4532/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 CNR2 4142/4885GAA 773/4885

“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.