SCHEMBL4448129

SCHEMBL4448129

CS(=O)(=O)c1ccc(Sc2ccc(F)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PTGS2 P35354 8/20 0.45
PTGS1 P23219 3/20 0.44
KEAP1 Q14145 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CA2 P00918 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL4448239 0.93 LMNA (0.46) LMNAPTGS2PTGS1KEAP1PTGDR2
SCHEMBL4918314 0.85 LMNA (0.44) LMNAKEAP1KDM4E
SCHEMBL4437772 0.84 KEAP1 (0.57) LMNAKEAP1CA2KDM4E
SCHEMBL2825868 0.80 LMNA (0.60) LMNACA2AKR1C3AKR1C2KDM4E
SCHEMBL8803599 0.79 LMNA (0.60) LMNAPTGS2CA2KDM4EKCNQ3
SCHEMBL4438684 0.78 KEAP1 (0.50) LMNAKEAP1CA2KDM4E
SCHEMBL4935434 0.77 LMNA (0.53) LMNAPTGS2PTGS1CA2KDM4E
SCHEMBL4440699 0.76 KDM4E (0.57) LMNAKEAP1CA2KDM4E
SCHEMBL4442313 0.76 KEAP1 (0.49) LMNAKEAP1CA2KDM4E
SCHEMBL8803565 0.76 LMNA (0.60) LMNAPTGS2PTGS1CA2KCNQ3

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 1202/4885PTGS2 1538/4885PTGS1 1620/4885

“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.