SCHEMBL4440712

SCHEMBL4440712

OCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1CO

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 5/20 0.44
DDR1 Q08345 5/20 0.41
SLC6A3 Q01959 2/20 0.41
IDO1 P14902 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
AGBL2 Q5U5Z8 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
SCHEMBL8534421 0.90 SLC6A2 (0.54) SLC6A4SLC6A2DDR1SLC6A3
SCHEMBL4437981 0.86 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3AGBL2
SCHEMBL4446608 0.84 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL11710235 0.81 SLC6A4 (0.49) SLC6A4SLC6A2DDR1SLC6A3
SCHEMBL4436403 0.80 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3AGBL2
SCHEMBL3681970 0.79 IDO1 (0.52) SLC6A4SLC6A2DDR1SLC6A3IDO1
SCHEMBL4440532 0.78 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3AGBL2
SCHEMBL4437710 0.78 APOBEC3G (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL4439390 0.78 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3AGBL2
Bromide SCHEMBL4439279 0.78 IDO1 (0.51) SLC6A4SLC6A2DDR1SLC6A3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622227-A Biaryl and biheteroaryl compounds useful in treating iron disorders XENON PHARMACEUTICALS INC 2010-01-06 CN disclosed
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 SLC6A4 724/4885SLC6A2 247/4885DDR1 4879/4885

“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.