Sugi Predict

Sugi Predict / Compounds / SCHEMBL5898757

SCHEMBL5898757

SCHEMBL5898757

C[C@H](C(=O)OCc1ccccc1)N1OCC=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.45
▸ PSEN2 P49810 2/20 0.45
▸ APH1B Q8WW43 2/20 0.45
▸ NCSTN Q92542 2/20 0.45
▸ APH1A Q96BI3 2/20 0.45
▸ PSENEN Q9NZ42 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CAPN1 P07384 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL5898759 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5898786 0.86 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24923945 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTHPGDHSD17B10
SCHEMBL7101702 0.75 CYP3A4 (0.43) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL7101705 0.75 CYP3A4 (0.43) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL5898788 0.75 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18171810 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTHPGDHSD17B10
SCHEMBL21959862 0.73 CTSL (0.48) ALDH1A1KMT2AMAPTHPGDHSD17B10
SCHEMBL5898745 0.72 ESR1 (0.34) ALDH1A1KMT2AMEN1HPGDSLC6A3
SCHEMBL11063207 0.72 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1MAPK1

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 PSEN1 2213/4885PSEN2 2814/4885APH1B 1347/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE PSEN1 2213/4885PSEN2 2814/4885APH1B 1347/4885
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 PSEN1 2419/4885PSEN2 3042/4885APH1B 1229/4885

“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.