SCHEMBL3937672

SCHEMBL3937672

COc1ccc(COC[S])cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
AGXT P21549 2/20 0.57
MAOB P27338 1/20 0.53
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
APP P05067 7/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CALM1 P0DP23 1/20 0.47
LTA4H P09960 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL34413 0.86 IDO1 (0.67) IDO1AGXTMAOBCA1CA2
Potassium SCHEMBL1477050 0.84 IDO1 (0.64) IDO1AGXTMAOBCA1CA2
SCHEMBL1475481 0.84 IDO1 (0.64) IDO1AGXTMAOBCA1CA2
SCHEMBL8499580 0.82 IDO1 (0.61) IDO1AGXTMAOBCA1CA2
SCHEMBL11132718 0.80 IDO1 (0.59) IDO1AGXTMAOBCA1CA2
SCHEMBL52777 0.80 IDO1 (0.59) IDO1AGXTMAOBCA1CA2
SCHEMBL11132720 0.80 LTA4H (0.65) IDO1AGXTMAOBCA1CA2
SCHEMBL2618879 0.80 IDO1 (0.59) IDO1AGXTMAOBCA1CA2
SCHEMBL6429953 0.78 LTA4H (0.69) IDO1AGXTMAOBCA1CA2
SCHEMBL2624069 0.78 IDO1 (0.57) IDO1AGXTMAOBCA1CA2

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 IDO1 78/4885AGXT 1845/4885MAOB 2233/4885

“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.