Sugi Predict

Sugi Predict / Compounds / SCHEMBL5326417

SCHEMBL5326417

SCHEMBL5326417

CCOC(=O)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOD1 Q9Y239 2/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL7011445 1.00 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL31229195 1.00 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1654337 0.87 LTA4H (0.43) CYP1A2CYP2C9CYP2C19KMT2ALTA4H
SCHEMBL1841835 0.87 LTA4H (0.43) CYP1A2CYP2C9CYP2C19KMT2ALTA4H
SCHEMBL18477 0.87 LTA4H (0.43) CYP1A2CYP2C9CYP2C19KMT2ALTA4H
SCHEMBL2254267 0.86 CYP1A2 (0.43) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL20671217 0.86 CYP1A2 (0.43) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL4861511 0.86 LTA4H (0.36) CYP1A2LTA4HCYP2D6NOS1NOS3
SCHEMBL31229277 0.86 CYP1A2 (0.43) L3MBTL1CYP1A2CYP2C9CYP2C19HTT
Water SCHEMBL3912787 0.86 LTA4H (0.42) CYP1A2CYP2C9CYP2C19KMT2ALTA4H

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-9604920-B2 Compositions and methods for the treatment of hyperglycemia and metabolic syndrome ALAPATI MOHAN MURALI (IN) 2017-03-28 — — US disclosed
US-7175767-B2 Preparation of a metal chelating separation medium GE HEALTHCARE BIO-SCIENCES AB (SE) 2007-02-13 — — US disclosed
US-7175767-B2 Preparation of a metal chelating separation medium GE HEALTHCARE BIO-SCIENCES AB (SE) 2007-02-13 — — US disclosed
US-7175767-B2 Preparation of a metal chelating separation medium GE HEALTHCARE BIO-SCIENCES AB (SE) 2007-02-13 — — US disclosed
US-20060199950-A1 Preparation of a metal chelating separation medium GE HEALTHCARE BIO-SCIENCES AB (SE) 2006-09-07 — — US disclosed
WO-2004087284-A1 PREPARATION OF A METAL CHELATING SEPARATION MEDIUM AMERSHAM BIOSCIENCES AB (SE) 2004-10-14 — — 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 (1 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-20060199950-A1 Preparation of a metal chelating separation medium CA1, CA3, CA12 L3MBTL1 3959/4885CYP1A2 2781/4885CYP2C9 3575/4885

“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.