SCHEMBL6035576

SCHEMBL6035576

CCC(CC)c1nn(-c2ccc(C(F)(F)F)nn2)cc1CCCOc1c(CC(=O)O)cccc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
SCN9A Q15858 1/20 0.33
PAX8 Q06710 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
GLS O94925 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 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
SCHEMBL1634152 0.92 PPARG (0.43) PPARGSCN9ATAAR1PPARDGLS
SCHEMBL6034696 0.92 PPARG (0.32) PPARG
SCHEMBL6035639 0.91 PTGER1 (0.33) PPARGPTGER4PTGER3PTGER2
SCHEMBL1634394 0.88 PPARG (0.40) PPARGSCN9APPARDPPARA
SCHEMBL6035415 0.87 PPARG (0.40) PPARGSCN9APAX8TAAR1PPARD
SCHEMBL1633509 0.85 PPARG (0.33) PPARGPPARD
SCHEMBL6035235 0.84 PPARG (0.44) PPARGSCN9APAX8TAAR1PPARD
SCHEMBL1633621 0.83 PPARG (0.48) PPARGSCN9ATAAR1
SCHEMBL1634795 0.83 PPARG (0.42) PPARGSCN9ATAAR1PTGER4PTGER3
SCHEMBL6035887 0.82 PPARG (0.43) PPARGSCN9ATAAR1

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 PPARG 1037/4885SCN9A 2020/4885PAX8 2629/4885

“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.