SCHEMBL3487774

SCHEMBL3487774

CC1CN(C(=O)O)C[C@H](COCc2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
FKBP1A P62942 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 4/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL21801870 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TSHRKMT2ALMNAFKBP1A
SCHEMBL23249892 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TSHRKMT2ALMNAFKBP1A
SCHEMBL16653935 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TSHRKMT2ALMNAFKBP1A
SCHEMBL23249940 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TSHRKMT2ALMNAFKBP1A
SCHEMBL17005427 0.87 LMNA (0.46) SMN1; SMN2LMNAHRH4HRH3L3MBTL1
SCHEMBL3128357 0.87 LMNA (0.46) SMN1; SMN2LMNAHRH4HRH3L3MBTL1
SCHEMBL2806983 0.87 LMNA (0.46) SMN1; SMN2LMNAHRH4HRH3L3MBTL1
SCHEMBL16633219 0.86 JAK2 (0.41) SMN1; SMN2TSHRKMT2ALMNAMEN1
SCHEMBL19829019 0.86 JAK2 (0.41) SMN1; SMN2TSHRKMT2ALMNAMEN1
SCHEMBL29874101 0.86 JAK2 (0.41) SMN1; SMN2TSHRKMT2ALMNAMEN1

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 3 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
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 SMN1; SMN2 3299/4885TSHR 3185/4885KMT2A 1852/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 SMN1; SMN2 3299/4885TSHR 3185/4885KMT2A 1852/4885

“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.