Sugi Predict

Sugi Predict / Compounds / SCHEMBL5898745

SCHEMBL5898745

SCHEMBL5898745

CC(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1OCC=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ KLK7 P49862 1/20 0.31

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
SCHEMBL5898773 0.83 ESR1 (0.36) ESR1ESR2ALDH1A1KIF11KMT2A
SCHEMBL5898774 0.83 ESR1 (0.36) ESR1ESR2ALDH1A1KIF11KMT2A
SCHEMBL5898778 0.78 RAB9A (0.34) —
SCHEMBL5898781 0.78 RAB9A (0.34) —
SCHEMBL5898761 0.73 LMNA (0.45) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL5898762 0.73 LMNA (0.45) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL5898759 0.72 PSEN1 (0.45) ALDH1A1KMT2AMEN1SLC6A3HPGD
SCHEMBL5696581 0.68 ESR1 (0.50) ESR1ESR2ALDH1A1KIF11KMT2A
SCHEMBL5898772 0.67 ESR1 (0.46) ESR1ESR2ALDH1A1KIF11KMT2A
SCHEMBL5898775 0.67 ESR1 (0.46) ESR1ESR2ALDH1A1KIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069091-A9 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2006-03-30 — — US disclosed
US-20050124612-A1 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2005-06-09 — — US disclosed
US-6861416-B2 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. (CA) 2005-03-01 — — US disclosed
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for CHIROLOGIX PHARMACEUTICALS, INC (CA) 2004-02-05 — — 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 (3 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-20060069091-A9 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE ESR1 2890/4885ESR2 3529/4885POLB 865/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE ESR1 2890/4885ESR2 3529/4885POLB 865/4885
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for SQLE, DHPS, COASY ESR1 2765/4885ESR2 3405/4885POLB 935/4885

“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.