SCHEMBL554078

SCHEMBL554078

CC(C)(C)[Si](OCC1CN(C(=O)O)CCO1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 8/20 0.44
HRH3 Q9Y5N1 1/20 0.38
SMYD2 Q9NRG4 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
EPHA2 P29317 1/20 0.35
DRD4 P21917 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL553857 0.89 EPHA2 (0.45) PDK1NR1H4EPHA2SMN1; SMN2
SCHEMBL553856 0.89 EPHA2 (0.45) PDK1NR1H4EPHA2SMN1; SMN2
SCHEMBL31299431 0.84 SMYD2 (0.38) PDK1SMYD2SMN1; SMN2PSEN1PSEN2
SCHEMBL29080094 0.83 SMYD2 (0.39) PDK1SMYD2SMN1; SMN2PSEN1PSEN2
SCHEMBL29080085 0.82 SMYD2 (0.39) SMYD2SMN1; SMN2
SCHEMBL17065348 0.82 SMYD2 (0.38) SMYD2SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL19181577 0.81 SMYD2 (0.37) SMYD2SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL15414558 0.80 PDK1 (0.45) PDK1HRH3EPHA2
SCHEMBL29211546 0.80 RBP4 (0.46) SMYD2
SCHEMBL19181556 0.80 SMYD2 (0.37) SMYD2SMN1; SMN2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 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 (4 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX PDK1 347/4885HRH3 4662/4885SMYD2 2749/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX PDK1 347/4885HRH3 4662/4885SMYD2 2749/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX PDK1 347/4885HRH3 4662/4885SMYD2 2749/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 PDK1 1635/4885HRH3 4620/4885SMYD2 692/4885

“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.