Sugi Predict

Sugi Predict / Compounds / SCHEMBL554798

SCHEMBL554798

SCHEMBL554798

CC(C)(C)OC(=O)N1CCOC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ SMYD2 Q9NRG4 2/20 0.38
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ HCRTR2 O43614 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL554333 1.00 IL1B (0.38) IL1BP2RX7SMYD2NR1H2NR1H3
SCHEMBL554334 1.00 IL1B (0.38) IL1BP2RX7SMYD2NR1H2NR1H3
SCHEMBL554843 0.89 SMYD2 (0.40) SMYD2DPP4HCRTR2SMN1; SMN2LMNA
SCHEMBL29504656 0.83 KDM1A (0.46) ATMKLK7HCRTR2GPR119MEN1
SCHEMBL31122968 0.82 PARP1 (0.39) SMYD2NR1H2NR1H3ATMPARP1
SCHEMBL31207692 0.82 SMYD2 (0.36) SMYD2NR1H2NR1H3KLK7PARP1
SCHEMBL31409932 0.82 SMYD2 (0.36) SMYD2NR1H2NR1H3KLK7PARP1
SCHEMBL31207693 0.82 SMYD2 (0.36) SMYD2NR1H2NR1H3KLK7PARP1
SCHEMBL31409965 0.82 SMYD2 (0.36) SMYD2NR1H2NR1H3KLK7PARP1
SCHEMBL15878429 0.82 SMYD2 (0.36) SMYD2NR1H2NR1H3KLK7PARP1

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 IL1B 3124/4885P2RX7 3150/4885SMYD2 2749/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX IL1B 3124/4885P2RX7 3150/4885SMYD2 2749/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX IL1B 3124/4885P2RX7 3150/4885SMYD2 2749/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 IL1B 4382/4885P2RX7 4716/4885SMYD2 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.