SCHEMBL7656189

SCHEMBL7656189

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.69
ACE P12821 1/20 0.65
PPARG P37231 4/20 0.64
CTSS P25774 5/20 0.61
CTSK P43235 3/20 0.61
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
PTPN1 P18031 3/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
APP P05067 1/20 0.53
MME P08473 1/20 0.52
PPARD Q03181 2/20 0.52

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
Benzene SCHEMBL3925161 0.93 CTSS (0.70) PPARAACEPPARGCTSSCTSK
Benzene SCHEMBL6474758 0.93 CTSS (0.70) PPARAACEPPARGCTSSCTSK
SCHEMBL231980 0.91 CTSS (0.71) PPARAACEPPARGCTSSCTSK
SCHEMBL1310547 0.91 CTSS (0.71) PPARAACEPPARGCTSSCTSK
SCHEMBL231981 0.91 CTSS (0.71) PPARAACEPPARGCTSSCTSK
SCHEMBL29824479 0.91 CTSS (0.68) PPARAACEPPARGCTSSCTSK
SCHEMBL606309 0.89 ACE (0.79) PPARAACEPPARGCTSSCTSK
SCHEMBL21473784 0.89 ACE (0.79) PPARAACEPPARGCTSSCTSK
SCHEMBL67020 0.89 ACE (0.79) PPARAACEPPARGCTSSCTSK
SCHEMBL66220 0.89 ACE (0.79) PPARAACEPPARGCTSSCTSK

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
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-6395767-B2 ANTIDIABETIC AGENTS; SAXAGLIPTIN BRISTOL-MYERS SQUIBB COMPANY 2002-05-28 US disclosed
US-20020019411-A1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method ASTRAZENECA AB (SE) 2002-02-14 US 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-20020019411-A1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method DPP4, DPP3, DPP7 PPARA 292/4885ACE 565/4885PPARG 131/4885

“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.