SCHEMBL4440532

SCHEMBL4440532

OCc1cc(F)ccc1Sc1cc(F)c(F)cc1CO

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.47
SLC6A2 P23975 8/20 0.47
AGBL2 Q5U5Z8 1/20 0.38
ATM Q13315 2/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G1B P04054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL4437981 0.91 SLC6A4 (0.53) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL4436403 0.87 SLC6A4 (0.48) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL4442330 0.82 APOBEC3G (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL4437710 0.82 APOBEC3G (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL4439390 0.82 SLC6A4 (0.47) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL4448456 0.81 SLC6A4 (0.56) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL4448436 0.80 ATM (0.50) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL4441040 0.80 SLC6A4 (0.50) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL4446511 0.79 SLC6A4 (0.45) SLC6A4SLC6A2AGBL2ATMSLC6A3
SCHEMBL11709560 0.79 AGBL2 (0.50) SLC6A4SLC6A2AGBL2L3MBTL1

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 SLC6A4 724/4885SLC6A2 247/4885AGBL2 1280/4885

“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.