SCHEMBL4438643

SCHEMBL4438643

O=C(O)c1cscc1Sc1ccc(F)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
KDM4E B2RXH2 4/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
TTR P02766 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
DHFR P00374 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
CXCL12 P48061 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A6 Q4U2R8 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
SCHEMBL4437772 0.88 KEAP1 (0.57) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL4438684 0.81 KEAP1 (0.50) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL4442313 0.80 KEAP1 (0.49) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL4440699 0.80 KDM4E (0.57) KEAP1KDM4EALDH1A1TDP1CA1
SCHEMBL4441135 0.79 ALDH1A1 (0.50) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL8533887 0.78 KEAP1 (0.50) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL6227763 0.77 KEAP1 (0.57) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL11711032 0.77 SIRT1 (0.50) KEAP1KDM4ECES2CES1ALDH1A1
SCHEMBL4436473 0.76 MPO (0.50) KEAP1KDM4ECES2ALDH1A1MEN1
SCHEMBL4446636 0.75 KEAP1 (0.44) KEAP1KDM4ECES2CES1ALDH1A1

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 KEAP1 184/4885KDM4E 2868/4885CES2 2315/4885

“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.