SCHEMBL4439243

SCHEMBL4439243

O=C(O)c1ccccc1Sc1cc(F)c(F)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL1482567 0.83 POLB (0.74) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL29888792 0.83 POLB (0.74) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL4442324 0.83 POLB (0.53) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL4442313 0.83 KEAP1 (0.49) KDM4EALDH1A1TDP1CA1CA2
SCHEMBL4440699 0.83 KDM4E (0.57) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL9460748 0.81 POLB (0.71) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL17080243 0.81 KDM4E (0.62) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL234760 0.80 RHEB (0.52) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL17080149 0.77 KDM4E (0.51) KDM4EPOLBALDH1A1TDP1CA12
SCHEMBL29441690 0.77 KDM4E (0.51) KDM4EPOLBALDH1A1TDP1CA12

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 KDM4E 2868/4885POLB 2907/4885ALDH1A1 844/4885

“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.