SCHEMBL4448426

SCHEMBL4448426

COC(=O)c1ccccc1Sc1ccc(F)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPT P10636 3/20 0.50
HSD17B10 Q99714 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
PKLR P30613 1/20 0.48
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
CFTR P13569 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 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
SCHEMBL4440554 0.92 KDM4E (0.49) SLC6A4SLC6A3MAPTHSD17B10TSHR
SCHEMBL2614721 0.89 ALDH1A1 (0.55) SLC6A4SLC6A3MAPTHSD17B10POLB
SCHEMBL18795730 0.88 SLC6A4 (0.46) SLC6A4SLC6A3MAPTHSD17B10POLB
SCHEMBL4440485 0.85 HSD17B10 (0.64) SLC6A4SLC6A3MAPTHSD17B10POLB
SCHEMBL4441923 0.82 ALDH1A1 (0.51) MAPTHSD17B10POLBTDP1PKLR
SCHEMBL4069370 0.82 MAPT (0.45) SLC6A4SLC6A3MAPTHSD17B10POLB
SCHEMBL28230888 0.82 SLC6A4 (0.53) SLC6A4SLC6A3MAPTHSD17B10POLB
SCHEMBL18795700 0.81 MAPT (0.40) SLC6A4SLC6A3MAPTHSD17B10POLB
SCHEMBL4440220 0.81 CFTR (0.54) MAPTALDH1A1KDM4EHPGDCFTR
SCHEMBL735623 0.81 IDO1 (0.53) SLC6A4SLC6A3MAPTHSD17B10POLB

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 SLC6A4 724/4885SLC6A3 233/4885MAPT 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.