SCHEMBL1960672

SCHEMBL1960672

NC(=O)NSCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 10/20 0.45
HPGD P15428 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PTPN7 P35236 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL28429012 0.77 ALOX5 (0.51) ALOX5TSHRALDH1A1HPGDNPC1
SCHEMBL8555614 0.75 ALDH1A1 (0.59) ALOX5TSHRALDH1A1HPGDNPC1
SCHEMBL4448151 0.73 ALDH1A1 (0.62) TSHRALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5491879 0.71 TSHR (0.54) ALOX5TSHRALDH1A1HPGDNPC1
SCHEMBL133803 0.71 IDO1 (0.48) ALDH1A1HPGDSMN1; SMN2POLBTDP1
SCHEMBL3186614 0.70 ALOX5 (0.49) ALOX5ALDH1A1HPGDNPC1RAB9A
SCHEMBL1487382 0.70 ALDH1A1 (0.54) ALOX5TSHRALDH1A1HSD17B10POLB
Furfuryl Alcohol SCHEMBL1487380 0.70 ALOX5 (0.56) ALOX5ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2100052 0.70
SCHEMBL526409 0.69 ALDH1A1 (0.53) ALOX5TSHRALDH1A1HPGDNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
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
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN 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
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 WO disclosed
CN-1264384-A Fused 1,2,4-thiadiazine derivatives, their preparation method and use NOVO NORDISK AS (DK) 2000-08-23 CN 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 ALOX5 883/4885TSHR 174/4885ALDH1A1 178/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX ALOX5 883/4885TSHR 174/4885ALDH1A1 178/4885

“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.