SCHEMBL4595472

SCHEMBL4595472

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
BLM P54132 1/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP1A2 P05177 3/20 0.41
RECQL P46063 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
MMP8 P22894 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL16295744 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1CYP1A2
SCHEMBL15743149 0.85 BLM (0.64) SMN1; SMN2HIF1ABLMCYP1A2RECQL
SCHEMBL27889856 0.84 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL11067231 0.80 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL11067201 0.80 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL1081531 0.79 SMN1; SMN2 (0.69) SMN1; SMN2HIF1ASLC6A2TAAR1BLM
SCHEMBL2130041 0.78 TSHR (0.49) SMN1; SMN2CYP1A2RECQLTSHRALDH1A1
SCHEMBL934104 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL2678813 0.78 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL25435256 0.78 SMN1; SMN2 (0.56) SMN1; SMN2HIF1ASLC6A2TAAR1BLM

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 SMN1; SMN2 3299/4885HIF1A 3343/4885SLC6A2 4822/4885

“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.