SCHEMBL1958885

SCHEMBL1958885

Nc1c(N)n(Cc2ccco2)c(=S)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ ALDH1A1 P00352 9/20 0.50
▸ POLB P06746 5/20 0.50
▸ PNP P00491 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ RECQL P46063 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ USP2 O75604 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ BLM P54132 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44

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
SCHEMBL8135676 0.86 TSHR (0.62) TSHRALDH1A1POLBPNPMAPT
SCHEMBL1960199 0.84 ALDH1A1 (0.49) TSHRALDH1A1POLBPNPMAPT
SCHEMBL1960192 0.78 TSHR (0.75) TSHRALDH1A1POLBPNPMAPT
SCHEMBL23323358 0.77 KMT2A (0.52) ALDH1A1PNPMAPTHPGDUSP2
SCHEMBL1461132 0.76 MPO (0.61) TSHRALDH1A1POLBPNPMAPT
SCHEMBL1960064 0.71 MTNR1A (0.62) ALDH1A1POLBMAPTL3MBTL1KDM4E
SCHEMBL2458143 0.71 TYMS (0.45) MAPTPKMKDM4EMEN1KMT2A
SCHEMBL1961737 0.71 MPO (0.60) ALDH1A1MAPTHPGDL3MBTL1RXFP1
SCHEMBL2455369 0.71 ALDH1A1 (0.51) ALDH1A1POLBMAPTHPGDTDP1
SCHEMBL2557771 0.70 TSHR (0.56) TSHRALDH1A1POLBPNPMAPT

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
US-8236951-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2012-08-07 — — US disclosed
EP-2332541-A1 Use of thioxanthine derivatives as MPO inhibitors AstraZeneca AB (SE) 2011-06-15 — — EP disclosed
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 — — US disclosed
US-7425560-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-09-16 — — US disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 — — 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 (2 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-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX TSHR 174/4885ALDH1A1 178/4885POLB 1017/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX TSHR 174/4885ALDH1A1 178/4885POLB 1017/4885

“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.

Send feedback