SCHEMBL5504100

SCHEMBL5504100

O=S(=O)(O)CCCNCc1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
USP28 Q96RU2 2/20 0.41
ALDH1A1 P00352 2/20 0.39
USP25 Q9UHP3 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MPO P05164 2/20 0.37
SLC6A4 P31645 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PKM P14618 1/20 0.36
STAT3 P40763 1/20 0.36
ACHE P22303 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6009923 0.89 FPR3 (0.41) CA12CA1CA2CA9USP28
SCHEMBL5504112 0.80 MPO (0.57) CA12CA1CA2CA9MEN1
SCHEMBL13535945 0.74 USP28 (0.44) USP28ALDH1A1USP25MEN1KMT2A
SCHEMBL5510239 0.72 CNR2 (0.45) MEN1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL5506450 0.72 CHRM2 (0.42) KMT2AHDAC3HDAC1HDAC2HDAC8
SCHEMBL5506256 0.72 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8
SCHEMBL26985827 0.71 CCR5 (0.51) CA2USP28ALDH1A1USP25MEN1
SCHEMBL6009935 0.70 CHRM2 (0.66) CA12CA1CA2ALDH1A1MPO
SCHEMBL1476606 0.70 LMNA (0.42) CA12CA1CA2CA9MEN1
SCHEMBL6009979 0.70 MPO (0.51) CA1CA2MEN1KMT2AMPO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO 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 CA12 354/4885CA1 291/4885CA2 1329/4885

“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.