SCHEMBL2201823

SCHEMBL2201823

CCOC(=O)c1c(C)nn(-c2ccc(OC(F)(F)F)cc2)c1C

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.75
P2RY12 Q9H244 2/20 0.58
ALDH1A1 P00352 3/20 0.54
PDE4B Q07343 2/20 0.53
SLC34A1 Q06495 2/20 0.53
MAPK1 P28482 1/20 0.52
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
GPR119 Q8TDV5 1/20 0.49

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
SCHEMBL2199384 0.87 PDE4D (0.67) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL5904534 0.86 PDE4D (0.70) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL2203149 0.86 ALDH1A1 (0.55) PDE4DALDH1A1MAPK1MAPTRAB9A
SCHEMBL4312926 0.86 PDE4D (1.00) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL6052477 0.84 PDE4D (0.76) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL6070059 0.84 PDE4D (0.80) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL16989389 0.83 PDE4D (0.78) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL8341970 0.82 P2RY12 (0.82) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL4314951 0.82 PDE4D (1.00) PDE4DP2RY12ALDH1A1PDE4BSLC34A1
SCHEMBL6070076 0.82 PDE4D (0.76) PDE4DP2RY12ALDH1A1PDE4BSLC34A1

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
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 PDE4D 814/4885P2RY12 268/4885ALDH1A1 1476/4885

“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.