Sugi Predict

Sugi Predict / Compounds / SCHEMBL17766477

SCHEMBL17766477

SCHEMBL17766477

N[C@@](C(=O)O)(C(=O)Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CES2 O00748 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ VNN1 O95497 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PAM P19021 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ ARG1 P05089 1/20 0.33
▸ ARG2 P78540 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ FNTA P49354 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
SCHEMBL4587134 0.75 USP2 (0.39) USP2SLCO1B1
SCHEMBL2227602 0.74 USP2 (0.44) SMN1; SMN2USP2SLCO1B1
SCHEMBL28250625 0.74 CES1 (0.40) CES1SMN1; SMN2CES2AKR1B1CNR2
Mannitol SCHEMBL28082727 0.73 AKR1B1 (0.65) CES1CES2AKR1B1PAMTSHR
Phenylacetic Acid SCHEMBL28074588 0.73 AKR1B1 (0.65) CES1CES2AKR1B1PAMTSHR
SCHEMBL28576589 0.73 SMN1; SMN2 (0.43) CES1HIF1ASMN1; SMN2CES2AKR1B1
SCHEMBL29053383 0.72 CES1 (0.54) CES1CES2AKR1B1CNR2PTPN1
SCHEMBL28226800 0.72 CES1 (0.46) CES1HIF1ASMN1; SMN2CES2AKR1B1
SCHEMBL8852282 0.72 USP2 (0.41) USP2SLCO1B1
SCHEMBL25286651 0.70 CES1 (0.45) CES1CES2AKR1B1CNR2PAM

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-11059842-B2 Monosaccharide amine and 3-nitro-2-phenyl-2H-chromene based inhibitors of glucose kinases UNIVERSITY OF SOUTH CAROLINA (US) 2021-07-13 — — US disclosed
US-20200339619-A1 Monosaccharide Amine and 3-Nitro-2-Phenyl-2H-Chromene Based Inhibitors of Glucose Kinases UNIVERSITY OF SOUTH CAROLINA 2020-10-29 — — US disclosed
US-9956240-B2 Therapeutic monosaccharide-based inhibitors of hexokinase and glucokinase for parasitic diseases, along with methods of their formation and use UNIVERSITY OF SOUTH CAROLINA (US) 2018-05-01 — — US disclosed
US-20160145291-A1 Therapeutic Monosaccharide-Based Inhibitors of Hexokinase and Glucokinase for Parasitic Diseases, Along with Methods of their Formation and Use UNIVERSITY OF SOUTH CAROLINA 2016-05-26 — — 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 (2 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-20200339619-A1 Monosaccharide Amine and 3-Nitro-2-Phenyl-2H-Chromene Based Inhibitors of Glucose Kinases GALK1, GCK, FN3K CES1 2240/4885HIF1A 2678/4885SMN1; SMN2 3447/4885
US-11059842-B2 Monosaccharide amine and 3-nitro-2-phenyl-2H-chromene based inhibitors of glucose kinases GALK1, GCK, FN3K CES1 2240/4885HIF1A 2678/4885SMN1; SMN2 3447/4885

“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.