Sugi Predict

Sugi Predict / Compounds / SCHEMBL5143577

SCHEMBL5143577

SCHEMBL5143577

COC(=O)C(=O)C(CC(C)C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.49
▸ TAS1R3 Q7RTX0 7/20 0.36
▸ TAS1R1 Q7RTX1 7/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ BIRC2 Q13490 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CA14 Q9ULX7 2/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL1059738 0.84 MME (0.56) MMETAS1R3TAS1R1SMN1; SMN2BIRC2
SCHEMBL27499466 0.80 MME (0.53) MMETAS1R3TAS1R1SMN1; SMN2BIRC2
SCHEMBL8159103 0.80 MME (0.62) MMETAS1R3TAS1R1SMN1; SMN2FOLH1
SCHEMBL16534859 0.78 SMN1; SMN2 (0.41) MMESMN1; SMN2CA14CA12CA9
SCHEMBL4135108 0.78 MME (0.51) MMETAS1R3TAS1R1SMN1; SMN2BIRC2
SCHEMBL6896224 0.77 MME (0.50) MMETAS1R3TAS1R1SMN1; SMN2BIRC2
SCHEMBL6896219 0.77 MME (0.50) MMETAS1R3TAS1R1SMN1; SMN2BIRC2
SCHEMBL10475077 0.76 RNPEP (0.34) MMECA14CA12CA7CA9
SCHEMBL1458577 0.75 MME (0.49) MMETAS1R3TAS1R1SMN1; SMN2BIRC2
SCHEMBL8166210 0.75 MME (0.49) MMETAS1R3TAS1R1SMN1; SMN2BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301031-B2 Methods for producing hydroxy amino acids, esters, and derivatives thereof BIOCATALYTICS, INC. (US) 2007-11-27 — — US disclosed
US-7081535-B2 Hydroxy-amino acids BIOCATALYTICS, INC. (US) 2006-07-25 — — US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 — — US disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 — — US disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 — — US disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 — — 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK MME 214/4885TAS1R3 4147/4885TAS1R1 4138/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 MME 411/4885TAS1R3 4313/4885TAS1R1 4288/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 MME 766/4885TAS1R3 4078/4885TAS1R1 4249/4885

“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.