Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806787

SCHEMBL2806787

SCHEMBL2806787

CCOC(=O)C(C)(Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4)CC3)nc(NCc3ccccc3)n2)cc1)Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.66
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ HRH1 P35367 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL2807718 0.92 PPARG (0.78) PPARGALDH1A1LMNAGLACYP1A2
SCHEMBL2804812 0.89 PPARG (0.69) PPARGPPARA
SCHEMBL2806027 0.89 PPARG (0.84) PPARGALDH1A1MAPTPOLBPPARA
SCHEMBL2811651 0.89 PPARG (0.84) PPARGALDH1A1MAPTPOLBPPARA
SCHEMBL2809038 0.89 PPARG (0.84) PPARGALDH1A1MAPTPOLBPPARA
SCHEMBL2807674 0.88 PPARG (0.77) PPARGALDH1A1LMNAGLAPPARA
SCHEMBL2806368 0.85 LMNA (0.52) PPARGALDH1A1LMNAGLACYP1A2
SCHEMBL2812247 0.84 PPARG (0.79) PPARGPPARA
SCHEMBL2804802 0.83 PPARG (0.77) PPARGALDH1A1MAPTPOLBPPARA
SCHEMBL2805018 0.82 PPARG (0.83) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 — — US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 — — US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 — — US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 — — US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 — — US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 — — 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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG PPARG 3/4885ALDH1A1 838/4885LMNA 2582/4885

“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.