SCHEMBL5607811

SCHEMBL5607811

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
SLC7A5 Q01650 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 1/20 0.52
PPARG P37231 2/20 0.50
EPHX2 P34913 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA2B P08514 1/20 0.50
HDAC2 Q92769 1/20 0.49

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
SCHEMBL5607818 1.00 CA1 (0.62) CA1CA2SLC7A5MEN1HPGD
SCHEMBL5082554 0.85 SLC7A5 (0.62) SLC7A5PPARGEPHX2HDAC2HDAC8
SCHEMBL5607088 0.85 SLC7A5 (0.62) SLC7A5PPARGEPHX2HDAC2HDAC8
SCHEMBL5607029 0.85 EPHX2 (0.68) SLC7A5PPARGEPHX2HDAC2HDAC8
SCHEMBL5607035 0.85 EPHX2 (0.68) SLC7A5PPARGEPHX2HDAC2HDAC8
SCHEMBL5606488 0.85 CA1 (0.62) CA1CA2SLC7A5MEN1KMT2A
SCHEMBL5607599 0.85 MEN1 (0.59) SLC7A5MEN1HPGDTSHRKMT2A
SCHEMBL5607609 0.85 MEN1 (0.59) SLC7A5MEN1HPGDTSHRKMT2A
SCHEMBL5606497 0.85 CA1 (0.62) CA1CA2SLC7A5MEN1KMT2A
SCHEMBL25357348 0.84 SLC7A5 (0.71) SLC7A5PPARGEPHX2HDAC2HDAC8

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 CA1 4129/4885CA2 3196/4885SLC7A5 2674/4885

“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.