SCHEMBL6035459

SCHEMBL6035459

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1c(C#N)cccc1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.35
SLC6A9 P48067 2/20 0.34
TIPARP Q7Z3E1 1/20 0.34
HDAC4 P56524 1/20 0.33
MGLL Q99685 1/20 0.33
GCGR P47871 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.32
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NR2E1 Q9Y466 1/20 0.32
IDE P14735 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6035590 0.90 GCGR (0.36) PPARDTIPARPHDAC4GCGRL3MBTL1
SCHEMBL6034691 0.89 SMN1; SMN2 (0.36) PPARDTIPARPHDAC4GCGRL3MBTL1
SCHEMBL6036239 0.89 HDAC4 (0.35) PPARDTIPARPHDAC4GCGRL3MBTL1
SCHEMBL6034290 0.89 HDAC4 (0.35) PPARDTIPARPHDAC4GCGRL3MBTL1
SCHEMBL6035182 0.88 HDAC4 (0.36) PPARDTIPARPHDAC4GCGRL3MBTL1
SCHEMBL6035321 0.88 PPARG (0.37) PPARDTIPARPHDAC4GCGRL3MBTL1
SCHEMBL6034630 0.88 GCGR (0.34) PPARDTIPARPHDAC4MGLLGCGR
SCHEMBL1633669 0.88 PPARG (0.43) PPARDTIPARPHDAC4PPARGSMN1; SMN2
SCHEMBL6035119 0.87 SMN1; SMN2 (0.40) PPARDPPARGSMN1; SMN2HPGD
SCHEMBL6035784 0.85 PPARG (0.41) PPARDTIPARPHDAC4PPARGSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PPARD 2488/4885SLC6A9 1495/4885TIPARP 4833/4885

“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.