Sugi Predict

Sugi Predict / Compounds / SCHEMBL5385455

SCHEMBL5385455

SCHEMBL5385455

CO[C@@H](Cc1ccc(OCCCOc2ccc(NC(=O)Cc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.67
▸ PPARD Q03181 8/20 0.67
▸ PPARA Q07869 8/20 0.67
▸ RAB9A P51151 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ GAA P10253 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 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
SCHEMBL5375774 0.84 PPARG (0.92) PPARGPPARDPPARA
SCHEMBL5380910 0.83 PPARG (0.81) PPARGPPARDPPARALTA4H
SCHEMBL5380914 0.83 PPARG (0.81) PPARGPPARDPPARALTA4H
SCHEMBL5383883 0.83 PPARA (0.84) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL27674846 0.83 PPARA (0.84) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL5383887 0.83 PPARA (0.84) PPARGPPARDPPARAITGB3ITGA2B
SCHEMBL5380334 0.83 PPARG (0.76) PPARGPPARDPPARA
SCHEMBL5381023 0.82 PPARA (0.79) PPARGPPARDPPARALTA4H
SCHEMBL5382699 0.82 PPARG (0.79) PPARGPPARDPPARA
SCHEMBL5382693 0.82 PPARG (0.79) PPARGPPARDPPARA

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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 — — US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 — — US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 — — US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 — — US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 — — US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 — — US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 — — 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARD 7/4885PPARA 3/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARG 1/4885PPARD 4/4885PPARA 3/4885

“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.