SCHEMBL5079182

SCHEMBL5079182

N[C@@H](Cc1ccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.56
MMP9 P14780 5/20 0.56
ADAMTS4 O75173 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54
PRMT1 Q99873 1/20 0.54
TPH1 P17752 2/20 0.54
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
MMP1 P03956 2/20 0.52
GAA P10253 1/20 0.52
MMP12 P39900 1/20 0.52
KEAP1 Q14145 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
SCHEMBL5607840 0.92 KEAP1 (0.61) CA12CA1CA2CA9ITGB1
SCHEMBL27754918 0.92 KEAP1 (0.61) CA12CA1CA2CA9ITGB1
SCHEMBL870402 0.87 TSHR (0.63) MMP2MMP9ADAMTS4TPH1MMP1
SCHEMBL27734537 0.87 CA9 (0.50) CA12CA1CA2CA9PRMT1
SCHEMBL27734539 0.87 CA9 (0.50) CA12CA1CA2CA9PRMT1
SCHEMBL5608193 0.86 LMNA (0.62) CA12CA9TPH1GAA
SCHEMBL5607879 0.86 ALDH1A1 (0.54) MMP2CA12CA1CA2CA9
SCHEMBL27755098 0.86 ALDH1A1 (0.54) MMP2CA12CA1CA2CA9
SCHEMBL5607322 0.85 UQCRB (0.58) MMP2MMP9ADAMTS4ALPIPKM
SCHEMBL5607316 0.85 UQCRB (0.58) MMP2MMP9ADAMTS4ALPIPKM

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
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
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 MMP2 1305/4885MMP9 3373/4885ADAMTS4 865/4885

“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.