SCHEMBL4083199

SCHEMBL4083199

CC(C)(C)[Si](C)(C)OCc1cccc(NN2CC(C(=O)O)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.38
S1PR5 Q9H228 9/20 0.38
PDGFRA P16234 2/20 0.37
PRKX P51817 1/20 0.37
IKBKE Q14164 1/20 0.37
PRKD3 O94806 1/20 0.36
CDK7 P50613 1/20 0.36
JAK3 P52333 1/20 0.36
TNK2 Q07912 1/20 0.36
PIM1 P11309 1/20 0.34

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
SCHEMBL4095092 0.86 S1PR5 (0.37) S1PR1S1PR5
SCHEMBL2799997 0.78 SMN1; SMN2 (0.43)
SCHEMBL28505033 0.75 SIRT2 (0.50)
SCHEMBL23601750 0.73 APP (0.39)
SCHEMBL4083198 0.72 GRM2 (0.41)
SCHEMBL2797957 0.72 SIRT2 (0.50)
SCHEMBL31139283 0.72 SIRT2 (0.50)
SCHEMBL17153130 0.71 ALDH1A1 (0.36)
SCHEMBL20857626 0.71 IDO1 (0.33)
SCHEMBL18338150 0.71 THRA (0.42)

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 S1PR1 1120/4885S1PR5 2429/4885PDGFRA 1042/4885

“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.