SCHEMBL6034684

SCHEMBL6034684

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
KDM4E B2RXH2 2/20 0.40
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
HPGD P15428 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
GCGR P47871 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G4B P0C869 1/20 0.36
DGAT1 O75907 1/20 0.36
GCG P01275 1/20 0.36

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
SCHEMBL6035924 0.90 SMN1; SMN2 (0.39) SMN1; SMN2RXRARXRBRXRGKDM4E
SCHEMBL6255315 0.88 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EHPGDGCGRNPC1
SCHEMBL6035813 0.86 SMN1; SMN2 (0.47) SMN1; SMN2RXRARXRBRXRGKDM4E
SCHEMBL6035583 0.85 PLA2G4B (0.40) SMN1; SMN2RXRARXRBRXRGKDM4E
SCHEMBL6035895 0.85 KDM4E (0.43) SMN1; SMN2KDM4EPPARDPPARAHPGD
SCHEMBL6035939 0.85 SMN1; SMN2 (0.44) SMN1; SMN2RXRARXRBRXRGKDM4E
SCHEMBL6034299 0.85 RXRA (0.38) SMN1; SMN2RXRARXRBRXRGKDM4E
SCHEMBL6035523 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EPPARDPPARAPPARG
SCHEMBL6035269 0.84 PPARG (0.46) SMN1; SMN2KDM4EPPARDPPARAPPARG
SCHEMBL6035712 0.83 PPARG (0.44) SMN1; SMN2RXRARXRBRXRGPPARD

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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885RXRA 183/4885RXRB 188/4885

“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.