SCHEMBL4437847

SCHEMBL4437847

O=S(=O)(c1ccc(F)cc1CBr)c1ccc(F)cc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
AKR1B1 P15121 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL31356939 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31356940 0.89 CYP2D6 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2220407 0.85 DDR1 (0.44) TSHRMAPK1KDM4EDDR1SLC6A4
SCHEMBL4118278 0.82 KDM4E (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436410 0.80 CYP2D6 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3948236 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31356938 0.80 CYP2D6 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4128018 0.77 PTGS2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14395630 0.77 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5757189 0.77 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 PSEN1 969/4885PSEN2 1090/4885APH1B 4038/4885

“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.