SCHEMBL38121

SCHEMBL38121

CC(C)(C)OC(=O)C[C@@H](Nc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.42
▸ PPARG P37231 4/20 0.42
▸ ACE P12821 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APP P05067 2/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ PTPRC P08575 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 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
SCHEMBL38122 1.00 PPARA (0.42) PPARAPPARGACEKDM4EGAA
SCHEMBL27257857 0.88 KLK5 (0.45) ALDH1A1ABCB1PTPRC
SCHEMBL4085456 0.85 NAMPT (0.46) KDM4ERAB9ALMNA
SCHEMBL28312030 0.85 RAB9A (0.45) PPARAPPARGACEKDM4EGAA
SCHEMBL18280623 0.84 LTA4H (0.40) PPARAPPARGKDM4EGAAMAPT
SCHEMBL5028021 0.83 ALDH1A1 (0.41) GAAMAPK1RAB9AALDH1A1TSHR
SCHEMBL13881222 0.82 ITGA4 (0.45) MAPTMAPK1
SCHEMBL28611674 0.81 LMNA (0.41) KDM4EGAARAB9ANPSR1ALDH1A1
SCHEMBL7379537 0.80 ALDH1A1 (0.48) KDM4EGAAMAPTMAPK1RAB9A
SCHEMBL28522469 0.80 MEN1 (0.45) MAPTRAB9AALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 — — WO disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 — — CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 — — US disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 — — WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 — — 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 (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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC PPARA 321/4885PPARG 132/4885ACE 577/4885

“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.

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