SCHEMBL5608045

SCHEMBL5608045

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.68
ITGAV P06756 2/20 0.68
ITGA2B P08514 2/20 0.68
NR1H4 Q96RI1 3/20 0.67
TPH1 P17752 3/20 0.55
SLC7A5 Q01650 2/20 0.54
ITGB1 P05556 1/20 0.53
ITGB5 P18084 1/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
PGGT1B P53609 1/20 0.52
FFAR1 O14842 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
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 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
SCHEMBL5608052 1.00 ITGB3 (0.68) ITGB3ITGAVITGA2BNR1H4TPH1
SCHEMBL14381168 0.88 NR1H4 (0.64) ITGB3ITGAVITGA2BNR1H4TPH1
SCHEMBL19234470 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2BTPH1SLC7A5
SCHEMBL7769029 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2BTPH1SLC7A5
SCHEMBL757263 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2BTPH1SLC7A5
SCHEMBL5607035 0.85 EPHX2 (0.68) NR1H4TPH1SLC7A5ALPIPKM
SCHEMBL5607824 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BSLC7A5ITGB1
SCHEMBL5607029 0.85 EPHX2 (0.68) NR1H4TPH1SLC7A5ALPIPKM
SCHEMBL5607830 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BSLC7A5ITGB1
SCHEMBL28241907 0.84 NR1H4 (0.77) NR1H4FFAR1

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 3 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

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 ITGB3 4608/4885ITGAV 4301/4885ITGA2B 4211/4885

“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.