Sugi Predict

Sugi Predict / Compounds / SCHEMBL553857

SCHEMBL553857

SCHEMBL553857

CC(C)(C)OC(=O)N1CCO[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.45
▸ ERBB2 P04626 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ USP30 Q70CQ3 4/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL553856 1.00 EPHA2 (0.45) EPHA2ERBB2EPHB4PDK1USP30
SCHEMBL554078 0.89 PDK1 (0.44) EPHA2PDK1NR1H4SMN1; SMN2
SCHEMBL31299244 0.85 NAMPT (0.37) EPHA2GPR119SMN1; SMN2GAATHRB
SCHEMBL29680617 0.85 NAMPT (0.37) EPHA2GPR119SMN1; SMN2GAATHRB
SCHEMBL31299259 0.84 NAMPT (0.37) EPHA2GPR119SMN1; SMN2GAATHRB
SCHEMBL29680582 0.84 RORC (0.41) EPHA2GPR119SMN1; SMN2GAATHRB
SCHEMBL29679782 0.84 RORC (0.41) EPHA2GPR119SMN1; SMN2GAATHRB
SCHEMBL29680713 0.84 NAMPT (0.37) EPHA2GPR119SMN1; SMN2GAATHRB
SCHEMBL29080082 0.84 SMN1; SMN2 (0.41) USP30GPR119SMN1; SMN2GAATHRB
SCHEMBL26139450 0.82 KDM4E (0.51) USP30GPR119JAK2JAK1KDM4E

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 EPHA2 3243/4885ERBB2 318/4885EPHB4 4114/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX EPHA2 3243/4885ERBB2 318/4885EPHB4 4114/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX EPHA2 3243/4885ERBB2 318/4885EPHB4 4114/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 EPHA2 4634/4885ERBB2 1949/4885EPHB4 4587/4885

“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.