SCHEMBL6540875

SCHEMBL6540875

CC1(C)OCC(Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.39
PPARG P37231 2/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
CXCR2 P25025 2/20 0.35
HSD11B1 P28845 1/20 0.35
CXCR1 P25024 1/20 0.34
CYP3A4 P08684 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
RORC P51449 1/20 0.32
BCHE P06276 1/20 0.31
MMP9 P14780 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
SCHEMBL6540867 1.00 PPARA (0.39) PPARAPPARGDRD2DRD3DRD1
SCHEMBL7694657 0.89 NR1H2 (0.39) PPARAPPARGCXCR2
SCHEMBL7364062 0.84 SMN1; SMN2 (0.37) PPARAPPARGCYP3A4ALDH1A1HPGD
SCHEMBL6540934 0.82 PKM (0.44) ALDH1A1SMN1; SMN2MMP9
SCHEMBL6540931 0.82 PKM (0.44) ALDH1A1SMN1; SMN2MMP9
SCHEMBL6540189 0.80 CCR3 (0.37) ALDH1A1MAPT
SCHEMBL6540195 0.80 CCR3 (0.37) ALDH1A1MAPT
SCHEMBL6541438 0.80 CAPN1 (0.38) PPARGCYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL6541442 0.80 CAPN1 (0.38) PPARGCYP3A4ALDH1A1HPGDSMN1; SMN2
SCHEMBL6541124 0.79 NAMPT (0.42) ALDH1A1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 PPARA 120/4885PPARG 273/4885DRD2 215/4885

“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.