SCHEMBL5608057

SCHEMBL5608057

N[C@@H](Cc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
RAB9A P51151 1/20 0.56
EPHX2 P34913 1/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
GRB2 P62993 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MLYCD O95822 1/20 0.52
SLC7A5 Q01650 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL5608062 1.00 LMNA (0.56) LMNARAB9AEPHX2PPARGPPARA
SCHEMBL5607609 0.84 MEN1 (0.59) EPHX2PPARGALDH1A1SLC7A5MEN1
SCHEMBL5607599 0.84 MEN1 (0.59) EPHX2PPARGALDH1A1SLC7A5MEN1
SCHEMBL23447718 0.84 LMNA (0.74) LMNARAB9APOLBTP53ALDH1A1
SCHEMBL5607255 0.83 HTR2C (0.61) EPHX2PPARGPPARASLC7A5MAPK14
SCHEMBL5607247 0.83 HTR2C (0.61) EPHX2PPARGPPARASLC7A5MAPK14
SCHEMBL5082554 0.82 SLC7A5 (0.62) EPHX2PPARGPPARASLC7A5TPH1
SCHEMBL5607088 0.82 SLC7A5 (0.62) EPHX2PPARGPPARASLC7A5TPH1
SCHEMBL5607029 0.82 EPHX2 (0.68) EPHX2PPARGPPARASLC7A5TPH1
SCHEMBL5607818 0.82 CA1 (0.62) LMNARAB9AEPHX2PPARGTP53

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 6 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
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
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 disclosed
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 disclosed
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 disclosed
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 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP LMNA 3875/4885RAB9A 1699/4885EPHX2 3665/4885

“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.