SCHEMBL4440554

SCHEMBL4440554

COC(=O)c1cc(F)ccc1Sc1ccc(F)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL4448426 0.92 SLC6A4 (0.51) KDM4EALDH1A1MAPTHPGDSLC6A4
SCHEMBL4440220 0.88 CFTR (0.54) KDM4EALDH1A1MAPTHPGDCES2
SCHEMBL2614721 0.87 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHPGDSLC6A4
SCHEMBL4438704 0.86 ALDH1A1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL17080136 0.86 KDM4E (0.72) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4448254 0.84 CFTR (0.49) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL17080222 0.82 HPGD (0.54) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9857862 0.81 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDSLC6A4
SCHEMBL2708451 0.81 SLC6A4 (0.51) KDM4EALDH1A1MAPTHPGDSLC6A4
SCHEMBL30301996 0.81 SLC6A4 (0.51) KDM4EALDH1A1MAPTHPGDSLC6A4

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 2868/4885ALDH1A1 844/4885MAPT 661/4885

“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.