SCHEMBL6516668

SCHEMBL6516668

COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.61
GPR132 Q9UNW8 3/20 0.60
GPR34 Q9UPC5 8/20 0.60
PTPN1 P18031 1/20 0.59
MME P08473 1/20 0.58
ACE P12821 1/20 0.58
CPA1 P15085 1/20 0.58
ACE2 Q9BYF1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.54

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
SCHEMBL6662616 0.92 PPARG (0.60) PPARGGPR132GPR34ALDH1A1GAA
SCHEMBL1123227 0.85 PTPN1 (0.63) PPARGGPR132GPR34PTPN1MME
SCHEMBL1122641 0.84 PTPN1 (0.77) PPARGGPR132GPR34PTPN1MME
SCHEMBL6516719 0.84 ITGB1 (0.59)
SCHEMBL18114395 0.83 GPR132 (0.81) PPARGGPR132GPR34PTPN1
SCHEMBL1123299 0.82 GPR132 (0.77) PPARGGPR132GPR34PTPN1MME
SCHEMBL16541078 0.82 PPARG (0.70) PPARGGPR132GPR34MMEACE
SCHEMBL1123033 0.82 GPR132 (0.77) PPARGGPR132GPR34PTPN1MME
SCHEMBL6182299 0.82 GPR132 (0.77) PPARGGPR132GPR34PTPN1MME
SCHEMBL753187 0.82 PPARG (0.70) PPARGGPR132GPR34MMEACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215598-A1 Phenylalanine derivatives CELLTECH R&D LTD. (GB) 2005-09-29 US disclosed
EP-1056714-B1 PHENYLALANINE DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS CELLTECH THERAPEUTICS LTD (GB) 2004-08-11 EP disclosed
US-20030166691-A1 Phenylalanine derivatives ARCHIBALD SARAH CATHERINE (GB) 2003-09-04 US disclosed
US-6555562-B1 2-Carboxybenzoyl-(N'-3,5-dichloroisonicotinoyl)-L-4aminophenyl alanine, for example; inhibit the binding of alpha-4 integrins to their ligands, use to treat immune or inflammatory disorders CELLTECH R&D LIMITED (GB) 2003-04-29 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 (2 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-20030166691-A1 Phenylalanine derivatives VCAM1, PAH, ITGB4 PPARG 734/4885GPR132 875/4885GPR34 148/4885
US-20050215598-A1 Phenylalanine derivatives PAH, ITGB4, VCAM1 PPARG 508/4885GPR132 732/4885GPR34 194/4885

“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.