SCHEMBL5079207

SCHEMBL5079207

N[C@@H](CC(=O)NCc1ccccn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 4/20 0.58
ALOX15 P16050 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
GAA P10253 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL5079211 1.00 POLB (0.61) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL27755035 0.89 SMN1; SMN2 (0.58) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL14381154 0.89 SMN1; SMN2 (0.58) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL31369738 0.86 SMN1; SMN2 (0.63) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL7416878 0.84 POLB (0.56) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL13774772 0.81 ALDH1A1 (0.67) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL7141122 0.80 SMN1; SMN2 (0.58) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL15208597 0.79 KDM4E (0.60) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL15208596 0.79 KDM4E (0.60) POLBSMN1; SMN2HPGDALOX15TDP1
SCHEMBL14696652 0.79 GAA (0.53) POLBSMN1; SMN2HPGDALOX15TDP1

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
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed

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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP POLB 4870/4885SMN1; SMN2 1582/4885HPGD 2659/4885

“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.