SCHEMBL4596550

SCHEMBL4596550

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 3/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
USP30 Q70CQ3 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 2/20 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
SCHEMBL7769262 0.79 LMNA (0.55) LMNASMN1; SMN2KMT2APOLBPKM
SCHEMBL642839 0.78 SMN1; SMN2 (0.41) LMNASMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL9382586 0.78 SMN1; SMN2 (0.41) LMNASMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL7272033 0.77 USP30 (0.35) L3MBTL1USP30
SCHEMBL216618 0.76 NPC1 (0.41) LMNASMN1; SMN2KMT2APOLBNPC1
SCHEMBL8589610 0.74 SMN1; SMN2 (0.49) LMNASMN1; SMN2KMT2APOLBPKM
SCHEMBL8589614 0.74 SMN1; SMN2 (0.49) LMNASMN1; SMN2KMT2APOLBPKM
SCHEMBL27391165 0.74 SMN1; SMN2 (0.36) LMNASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7290370 0.73 GBA1 (0.36) LMNAKMT2AMEN1CTSSCTSK
SCHEMBL7447969 0.73 CYP1A2 (0.42) PKMCTSSCTSKMAPTUSP30

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 LMNA 3066/4885SMN1; SMN2 3299/4885KMT2A 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.