SCHEMBL3937015

SCHEMBL3937015

O=[N+]([O-])c1ccccc1COC[S]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.50
MAOB P27338 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL77922 0.89 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8539484 0.85 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL431687 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL38655942 0.82 ALDH1A1 (0.65) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL2354939 0.82 ALDH1A1 (0.59) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937020 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL5583988 0.82 ALDH1A1 (0.65) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL7027259 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12086376 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL28385453 0.82 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 EP 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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP ALDH1A1 2709/4885TSHR 3844/4885HTT 3815/4885

“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.