SCHEMBL10066809

SCHEMBL10066809

O=C(OCCl)SCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.63
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1722103 0.83 IDO1 (0.65) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL19473645 0.81 IDO1 (0.63) IDO1L3MBTL1NOS3NOS1NOS2
SCHEMBL7081788 0.80 IDO1 (0.61) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL10066807 0.77 IDO1 (0.58) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL164097 0.77 IDO1 (0.58) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL6684302 0.77 IDO1 (0.57) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL28184258 0.75 TDP1 (0.61) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL6831249 0.74 IDO1 (0.54) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL6790276 0.74 TDP1 (0.55) IDO1TDP1L3MBTL1NOS3NOS1
SCHEMBL3070200 0.73 IDO1 (0.71) IDO1TDP1L3MBTL1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572788-B2 Cell permeable inhibitors of anaphase promoting complex PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-21 US disclosed
US-20150328214-A1 CELL PERMEABLE INHIBITORS OF ANAPHASE PROMOTING COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-11-19 US disclosed
WO-2012031118-A2 CELL PERMEABLE INHIBITORS OF ANAPHASE PROMOTING COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 WO 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-20150328214-A1 CELL PERMEABLE INHIBITORS OF ANAPHASE PROMOTING COMPLEX CDC20, BUB1B, BUB1 IDO1 4055/4885TDP1 993/4885L3MBTL1 1750/4885

“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.