SCHEMBL6035583

SCHEMBL6035583

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1cccc(CC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
LTB4R Q15722 1/20 0.38
IDE P14735 1/20 0.38
PTPN11 Q06124 1/20 0.38
RXRA P19793 3/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
VHL P40337 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 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
SCHEMBL6035924 0.96 SMN1; SMN2 (0.39) PLA2G4BSMN1; SMN2KDM4EMAPK1LTB4R
SCHEMBL6034677 0.93 LTB4R (0.40) SMN1; SMN2KDM4EMAPK1LTB4RIDE
SCHEMBL6035564 0.90 PLA2G4B (0.42) PLA2G4BLTB4RRXRANR1H2NR1H3
SCHEMBL6034299 0.89 RXRA (0.38) SMN1; SMN2KDM4EMAPK1RXRAPPARG
SCHEMBL6035650 0.89 PLA2G4B (0.39) PLA2G4BSMN1; SMN2KDM4ELTB4RIDE
SCHEMBL6035959 0.89 PLA2G4B (0.42) PLA2G4BSMN1; SMN2LTB4RIDEPTPN11
SCHEMBL6035680 0.89 PLA2G4B (0.40) PLA2G4BKDM4ELTB4RPTPN11RXRA
SCHEMBL6034816 0.87 CYP4F2 (0.41) SMN1; SMN2KDM4EMAPK1IDENR1H2
SCHEMBL6036306 0.87 NR1H3 (0.39) PLA2G4BSMN1; SMN2KDM4ELTB4RIDE
SCHEMBL1634400 0.86 PPARA (0.40) SMN1; SMN2KDM4EMAPK1IDEPPARG

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 PLA2G4B 4180/4885SMN1; SMN2 4408/4885KDM4E 509/4885

“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.