SCHEMBL3909702

SCHEMBL3909702

C[C@H](OCC(F)(F)F)C(=O)O.c1ccc(OCCNCc2nc3ccccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.49
▸ PPARA Q07869 3/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ CETP P11597 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL377363 0.85 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL377531 0.85 PPARG (0.66) PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7711566 0.79 PPARG (0.50) PPARGPPARA
SCHEMBL4609088 0.76 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL2786491 0.76 PPARG (0.53) PPARGPPARADRD4
SCHEMBL7922719 0.76 PPARG (0.48) PPARGPPARADRD4
Propionic Acid SCHEMBL17220388 0.75 PPARG (0.40) PPARGSLC40A1MAPK1L3MBTL1TSHR
SCHEMBL6748495 0.75 NMT2 (0.40) PPARGCETPSLC40A1DRD4MAPK1
SCHEMBL7920692 0.74 PPARG (0.50) PPARGPPARAPPARD
Trifluoroacetic Acid SCHEMBL7705739 0.74 PPARG (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598416-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2009-10-06 — — US disclosed
US-20080269336-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2008-10-30 — — US disclosed
US-7425649-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-16 — — 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-20080269336-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PPARG 2/4885PPARA 1/4885PPARD 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.

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