SCHEMBL7604048

SCHEMBL7604048

O=S(=O)(OC(F)(CCCCO)Oc1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KAT6A Q92794 1/20 0.33
MAPT P10636 1/20 0.33
NR3C1 P04150 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RORC P51449 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NR1I2 O75469 1/20 0.31
ESR2 Q92731 1/20 0.31
PPARA Q07869 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
SCHEMBL7154403 0.86 ALDH1A1 (0.38) KAT6ATDP1NR1I2
SCHEMBL30487220 0.68 APOBEC3G (0.38) RORCNR1I2ESR2
SCHEMBL4132885 0.67 HTR6 (0.41) MAPTTDP1
SCHEMBL11230491 0.67 PPARA (0.40) HDAC1HDAC2PPARA
SCHEMBL7152769 0.67 MAPT (0.35) KAT6AMAPTNR1I2PPARA
SCHEMBL1515703 0.67 HTR6 (0.44) MAPTTDP1
SCHEMBL10592199 0.66 PARL (0.41) MAPTTDP1ESR2
SCHEMBL1772470 0.66 HSD11B1 (0.35) RORCNR1I2ESR2
SCHEMBL28361716 0.65 HTR6 (0.42) MAPTTDP1
Ammonia Solution, Strong SCHEMBL27662422 0.65 HTR6 (0.42) MAPTTDP1

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-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-04-04 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-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 KEAP1 342/4885NFE2L2 37/4885KAT6A 3537/4885

“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.