SCHEMBL4444639

SCHEMBL4444639

O=C(O)c1ccccc1Sc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
TAS2R14 Q9NYV8 3/20 0.48
FKBP1A P62942 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
GRIK1 P39086 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL15911983 0.92 ALDH1A1 (0.56) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL7821948 0.88 KDM4E (0.66) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL11709910 0.88 KCNQ3 (0.56) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL4436473 0.84 MPO (0.50) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL15911985 0.84 KDM4E (0.49) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL7824348 0.84 MAPT (0.77) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL18796067 0.83 LMNA (0.52) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL8533504 0.82 MAPT (0.56) LMNAMAPTHTTKDM4EALDH1A1
SCHEMBL1482567 0.79 POLB (0.74) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL29888792 0.79 POLB (0.74) MAPTKDM4EALDH1A1TDP1HPGD

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 LMNA 1202/4885MAPT 661/4885HTT 1363/4885

“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.