SCHEMBL6009979

SCHEMBL6009979

O=S(=O)(O)CCCNCCc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.51
TAAR1 Q96RJ0 2/20 0.47
HPGD P15428 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC2A1 P11166 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL5504112 0.86 MPO (0.57) MPOSLC6A4CA1CA2MEN1
SCHEMBL5504381 0.81 SLC2A1 (0.46) SLC2A1CNR1
SCHEMBL776466 0.80 TAAR1 (0.52) MPOTAAR1AKR1C3MEN1KMT2A
SCHEMBL353164 0.79 NQO2 (0.55) HPGDSLC2A1CA1CA2
SCHEMBL25046557 0.79 MPO (0.58) MPOTAAR1HPGDSLC6A4CYP1A2
Hydrochloric Acid SCHEMBL7368184 0.78 TAAR1 (0.67) MPOTAAR1HPGDSLC6A4CYP1A2
SCHEMBL15637935 0.77 MPO (0.53) MPOTAAR1HPGDSLC6A4CYP1A2
SCHEMBL5504458 0.75 CA12 (0.50) TAAR1CA1CA2
SCHEMBL10278447 0.74 LMNA (0.39) MPOTAAR1SLC6A4AKR1C3MEN1
SCHEMBL5503782 0.74 NOS1 (0.50) MPOTAAR1SLC6A4

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 MPO 205/4885TAAR1 1542/4885HPGD 1617/4885

“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.