SCHEMBL3840190

SCHEMBL3840190

Cc1ccc(-c2csc(N[C@@H](Cc3ccc(OCCN(C)C(=O)C4CCCCC4)cc3)C(=O)O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.46
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.39
PPARA Q07869 2/20 0.39
GMNN O75496 1/20 0.38
EGFR P00533 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
NFKB1 P19838 1/20 0.38
TACR2 P21452 1/20 0.38
SLC6A2 P23975 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL3839905 0.95 PPARG (0.51) PPARGLMNAMEN1KMT2APPARA
SCHEMBL3840202 0.92 PPARG (0.44) PPARGKCNQ1
SCHEMBL5376562 0.89 PPARG (0.45) PPARGLMNAADORA3MAPTKCNQ1
SCHEMBL5379053 0.83 LMNA (0.39) LMNAMEN1KMT2AMAPK1MAPT
SCHEMBL5376568 0.81 ALOX5 (0.41) PPARGLMNAMEN1KMT2AMAPK1
SCHEMBL3260605 0.81 PPARG (0.54) PPARGPPARA
SCHEMBL1596544 0.81 PPARG (0.54) PPARGPPARA
SCHEMBL13588500 0.79 PPARG (0.43) PPARG
SCHEMBL5376571 0.78 APP (0.40) PPARGLMNAMEN1KMT2AMAPK1
SCHEMBL3840815 0.75 AMY1A (0.55) LMNAMEN1KMT2AMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874745-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS ADAMED SP ZOO (PL) 2009-11-11 EP claimed
EP-1874745-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS Adamed SP. Z O.O. (PL) 2008-01-09 EP claimed
WO-2006077206-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA REZEPTOR LIGANDEN ADAMED SP. Z O.O. (PL) 2006-07-27 WO claimed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 US claimed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 US disclosed
EP-1874745-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS ADAMED SP ZOO (PL) 2009-11-11 EP disclosed
EP-1874745-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS Adamed SP. Z O.O. (PL) 2008-01-09 EP disclosed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 US disclosed
US-20070161799-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z O.O. (PL) 2007-07-12 US disclosed
WO-2006077206-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA REZEPTOR LIGANDEN ADAMED SP. Z O.O. (PL) 2006-07-27 WO disclosed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 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-20070161799-A1 3-Phenylpropionic acid derivatives PAOX, PPARA, PPARG PPARG 3/4885LMNA 2813/4885MEN1 4856/4885
US-20060160868-A1 3-Phenylpropionic acid derivatives PPARA, PPARG, PPARD PPARG 2/4885LMNA 3590/4885MEN1 4549/4885

“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.