SCHEMBL1596544

SCHEMBL1596544

CN(CCOc1ccc(C[C@H](Nc2nc3ccccc3s2)C(=O)O)cc1)C(=O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.54
ITGB1 P05556 2/20 0.51
ITGA5 P08648 1/20 0.51
ITGA4 P13612 2/20 0.47
PPARA Q07869 1/20 0.43

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
SCHEMBL3260605 1.00 PPARG (0.54) PPARGITGB1ITGA5ITGA4PPARA
SCHEMBL3839905 0.86 PPARG (0.51) PPARGITGB1ITGA4PPARA
SCHEMBL5250840 0.83 ITGB1 (0.55) PPARGITGB1ITGA5ITGA4
SCHEMBL1596607 0.82 PPARG (0.66) PPARGPPARA
SCHEMBL12704699 0.82 PPARG (0.47) PPARGITGB1ITGA5PPARA
SCHEMBL3840190 0.81 PPARG (0.46) PPARGPPARA
SCHEMBL5376562 0.80 PPARG (0.45) PPARG
SCHEMBL3840202 0.79 PPARG (0.44) PPARG
SCHEMBL5379126 0.77 PPARG (0.48) PPARGITGB1ITGA4PPARA
SCHEMBL4836084 0.77 ITGB1 (0.61) ITGB1ITGA5ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 US disclosed
EP-1833805-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP ZOO (PL) 2010-02-10 EP disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 US disclosed
EP-1833805-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES Adamed SP. Z O.O. (PL) 2007-09-19 EP disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 US disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 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 (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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG PPARG 3/4885ITGB1 2446/4885ITGA5 2080/4885
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES PPARA, PPARD, PPARG PPARG 3/4885ITGB1 2387/4885ITGA5 2020/4885

“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.