SCHEMBL5083024

SCHEMBL5083024

NC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
GRIK1 P39086 2/20 0.48
LTA4H P09960 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KIF11 P52732 3/20 0.45
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44

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
SCHEMBL5083018 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5080148 0.91 LMNA (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5080145 0.91 LMNA (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8234369 0.89 LTA4H (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5080211 0.84 NPC1 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5080215 0.84 NPC1 (0.68) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL23833849 0.83 NPC1 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8186224 0.83 ALDH1A1 (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL23834346 0.79 GRIK1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL23834378 0.79 GRIK1 (0.47) ALPIPKMPTGS1XIAPSLC7A5

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 ALPI 301/4885PKM 2260/4885PTGS1 1654/4885

“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.