SCHEMBL5113031

SCHEMBL5113031

CCN(CC)C(=O)COc1ccc(CCCOc2nn(C)cc2CC(=O)O)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.59
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 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
SCHEMBL5115413 0.90 PPARG (0.58) PPARGSMN1; SMN2LMNA
SCHEMBL5119655 0.88 PPARG (0.56) PPARGSMN1; SMN2LMNA
SCHEMBL5110043 0.88 PPARG (0.63) PPARGSMN1; SMN2LMNA
SCHEMBL5120370 0.87 PPARG (0.58) PPARGSMN1; SMN2LMNA
SCHEMBL5113868 0.85 PPARG (0.54) PPARGSMN1; SMN2
SCHEMBL5106920 0.85 SMN1; SMN2 (0.48) PPARGSMN1; SMN2LMNA
SCHEMBL3206768 0.84 PPARG (0.72) PPARGSMN1; SMN2LMNA
SCHEMBL3215778 0.81 PPARG (0.68) PPARGSMN1; SMN2LMNA
SCHEMBL5109443 0.80 PPARG (0.58) PPARGSMN1; SMN2
SCHEMBL5120082 0.80 PPARG (0.61) PPARGSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885SMN1; SMN2 3876/4885LMNA 3761/4885

“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.