SCHEMBL6008629

SCHEMBL6008629

CC(C)(C)NCC(F)CS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.40
HIF1A Q16665 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.34
ADRB2 P07550 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30

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
SCHEMBL12226588 0.78 CASP7 (0.41) CASP7HIF1ALMNAKMT2AKDM4E
SCHEMBL21623898 0.78 CASP7 (0.41) CASP7HIF1ALMNAKMT2AKDM4E
SCHEMBL354021 0.78 KDM4E (0.45) CASP7HIF1ALMNAKMT2AKDM4E
SCHEMBL353587 0.76 CASP7 (0.40) CASP7HIF1ALMNAKMT2AKDM4E
SCHEMBL5503668 0.72 CASR (0.39) SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL5500953 0.72 CASR (0.46) KDM4EADRB2ADRB1ADRB3
SCHEMBL16368610 0.72 TSHR (0.35) CASP7HIF1ALMNAKMT2AADRB2
SCHEMBL5499914 0.68 ANPEP (0.40) KMT2AMEN1TSHR
SCHEMBL5500654 0.67 KDM4E (0.35) KDM4E
SCHEMBL10278353 0.67 KDM4E (0.33) CASP7HIF1ALMNAKMT2AKDM4E

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR CASP7 1036/4885HIF1A 2067/4885LMNA 50/4885

“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.