SCHEMBL4444708

SCHEMBL4444708

Cc1ccc(C(=O)O)c(Sc2ccc(F)cc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL4438684 0.89 KEAP1 (0.50) KEAP1KDM4EMEN1KMT2ALMNA
SCHEMBL4437772 0.85 KEAP1 (0.57) KEAP1KDM4EMEN1KMT2ALMNA
SCHEMBL11161891 0.83 HTR1A (0.44) KDM4ECSNK2A1MEN1KMT2AGAA
SCHEMBL21327518 0.82 DHODH (0.43) KDM4EKMT2ALMNATP53GAA
SCHEMBL4437993 0.82 TSHR (0.46) KEAP1KDM4EMEN1KMT2ATP53
SCHEMBL4440699 0.81 KDM4E (0.57) KEAP1KDM4ELMNAGAAMAPT
SCHEMBL4437750 0.81 KDM4E (0.54) KDM4ECSNK2A1MEN1KMT2AMAPT
SCHEMBL4442313 0.81 KEAP1 (0.49) KEAP1KDM4EMEN1KMT2ALMNA
SCHEMBL4448239 0.80 LMNA (0.46) KEAP1KDM4ELMNA
SCHEMBL11617056 0.80 HTR1A (0.47) KDM4ECSNK2A1MEN1KMT2ALMNA

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 2868/4885CSNK2A1 3535/4885

“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.