Sugi Predict

Sugi Predict / Compounds / SCHEMBL3488059

SCHEMBL3488059

SCHEMBL3488059

COc1ccc(CN2C[C@H](COCc3ccccc3)OC(C)C2=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL31578920 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL25275701 0.87 SMN1; SMN2 (0.46) MEN1KMT2ADRD4SMN1; SMN2
SCHEMBL2304816 0.85 MEN1 (0.46) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL15968361 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL15968364 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL3488490 0.82 KMT2A (0.50) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL2511022 0.82 KMT2A (0.50) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL2305068 0.82 KMT2A (0.50) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL28813983 0.76 MEN1 (0.44) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL4387155 0.73 CACNA1G (0.53) ALDH1A1KDM4EGAATDP1MAPT

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-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 — — US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 — — US disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 — — WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 — — EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 — — US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 — — 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 (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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885KDM4E 2078/4885GAA 2624/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885KDM4E 2078/4885GAA 2624/4885

“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.