SCHEMBL3688652

SCHEMBL3688652

CS(=O)(=O)c1ccc(COC(=S)NN)c(Sc2ccc(F)cc2CSC(=N)N)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.33
PTGS1 P23219 2/20 0.33
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH3A1 P30838 1/20 0.30

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
Hydrochloric Acid SCHEMBL4439418 0.99 PTGS2 (0.33) PTGS2PTGS1IDO1ALDH1A1MEN1
SCHEMBL3688649 0.86 PTGS2 (0.40) PTGS2PTGS1IDO1ALDH1A1MEN1
SCHEMBL3691252 0.85 ALDH1A1 (0.34) IDO1ALDH1A1MEN1KMT2ASLC6A4
Hydrochloric Acid SCHEMBL4439413 0.85 IDO1 (0.41) PTGS2PTGS1IDO1ALDH1A1MEN1
Bromide SCHEMBL4445152 0.84 ALDH1A1 (0.33) IDO1ALDH1A1KMT2ASLC6A4ALDH3A1
SCHEMBL3686879 0.83 IDO1 (0.42) PTGS2PTGS1IDO1ALDH1A1MEN1
SCHEMBL3688893 0.82 IDO1 (0.41) IDO1ALDH1A1MEN1KMT2A
Bromide SCHEMBL4439229 0.82 PTGS2 (0.41) PTGS2PTGS1IDO1ALDH1A1MEN1
Bromide SCHEMBL4448371 0.81 IDO1 (0.40) IDO1ALDH1A1MEN1KMT2A
SCHEMBL3687316 0.81 IDO1 (0.35) IDO1

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 5 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 claimed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO claimed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 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 PTGS2 1538/4885PTGS1 1620/4885IDO1 269/4885

“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.