SCHEMBL1302820

SCHEMBL1302820

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](O)C[C@@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1693306 0.81
SCHEMBL18103730 0.80 LMNA (0.35) LMNATHRBCYP2C19
SCHEMBL1302875 0.79
SCHEMBL3955359 0.79 LMNA (0.39) LMNATHRBCYP2C19
SCHEMBL5998597 0.76 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL3954238 0.75 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL4765447 0.75 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL6233979 0.73 LMNA (0.35) LMNATHRBCYP2C19
SCHEMBL6234024 0.73 LMNA (0.35) LMNATHRBCYP2C19
SCHEMBL5144573 0.72 LMNA (0.33) LMNATHRBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269737-A1 7-(Piperazine-1-Ymethyl)-1H-Indole-2-Carboxylic Acid (Phenyl)-Amide Derivatives and Allied Compounds as P38 Map Kinase Inhibitors for the Treatment of Respiratory Diseases MAPKAPK2, MAPKAPK5, MAPK7 LMNA 3495/4885THRB 1001/4885CYP2C19 1438/4885

“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.