Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805809

SCHEMBL2805809

SCHEMBL2805809

CC(Cc1ccc(Oc2cc(N3CCN(c4ccccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 13/20 0.87
▸ HRH4 Q9H3N8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PPARA Q07869 3/20 0.41
▸ PPARD Q03181 2/20 0.41

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
SCHEMBL2810965 0.93 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2809842 0.91 PPARG (1.00) PPARGHRH4MAPTPPARAPPARD
SCHEMBL2806755 0.90 PPARG (0.82) PPARGHRH4ALDH1A1KDM4ELMNA
SCHEMBL2812228 0.88 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2805810 0.88 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2809044 0.88 PPARG (1.00) PPARGHRH4PPARAPPARD
SCHEMBL2808919 0.87 PPARG (0.81) PPARGHRH4SMN1; SMN2MEN1KMT2A
SCHEMBL2804644 0.87 PPARG (0.91) PPARGALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2805063 0.87 PPARG (0.91) PPARGHRH4ALDH1A1KDM4EMAPT
SCHEMBL2809104 0.86 PPARG (1.00) PPARGHRH4MAPTPPARA

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 3/4885HRH4 1982/4885ALDH1A1 838/4885

“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.