SCHEMBL5607029

SCHEMBL5607029

N[C@@H](Cc1ccc(CNC(=O)c2cccc(-c3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.68
NR1H4 Q96RI1 2/20 0.68
CFD P00746 1/20 0.63
TPH1 P17752 3/20 0.55
SLC7A5 Q01650 3/20 0.54
HDAC1 Q13547 2/20 0.53
ERN1 O75460 1/20 0.53
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PPARG P37231 2/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 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
SCHEMBL5607035 1.00 EPHX2 (0.68) EPHX2NR1H4CFDTPH1SLC7A5
SCHEMBL8231752 0.88 EPHX2 (0.68) EPHX2NR1H4TPH1SLC7A5HDAC1
SCHEMBL5607088 0.88 SLC7A5 (0.62) EPHX2NR1H4TPH1SLC7A5HDAC1
SCHEMBL5082554 0.88 SLC7A5 (0.62) EPHX2NR1H4TPH1SLC7A5HDAC1
SCHEMBL25357353 0.87 SLC7A5 (0.71) EPHX2NR1H4CFDSLC7A5HDAC2
SCHEMBL25357348 0.87 SLC7A5 (0.71) EPHX2NR1H4CFDSLC7A5HDAC2
SCHEMBL5608045 0.85 ITGB3 (0.68) NR1H4TPH1SLC7A5ALPIPKM
SCHEMBL5607599 0.85 MEN1 (0.59) EPHX2NR1H4CFDSLC7A5HDAC1
SCHEMBL5607609 0.85 MEN1 (0.59) EPHX2NR1H4CFDSLC7A5HDAC1
SCHEMBL5607818 0.85 CA1 (0.62) EPHX2SLC7A5HDAC2HDAC8HDAC6

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 EPHX2 3665/4885NR1H4 435/4885CFD 3072/4885

“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.