SCHEMBL1973272

SCHEMBL1973272

Cc1nc(C#N)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.48
CTSB P07858 2/20 0.42
EGLN2 Q96KS0 6/20 0.39
NQO1 P15559 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
STAT3 P40763 1/20 0.35
F11 P03951 1/20 0.35
SRC P12931 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN11 Q06124 1/20 0.33
AR P10275 1/20 0.32
TKT P29401 1/20 0.31

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
SCHEMBL701812 0.77 NOS3 (0.44) SOS2EGLN2NQO1KDM4EALDH1A1
SCHEMBL7941665 0.76 SOS2 (0.50) SOS2CTSBNQO1SRCPTPN11
SCHEMBL13291191 0.76 SOS2 (0.50) SOS2CTSBNQO1SRCPTPN11
SCHEMBL21928096 0.76 EGLN2 (0.40) SOS2EGLN2NQO1KDM4EALDH1A1
SCHEMBL10268214 0.74 SOS2 (0.48) SOS2CTSBNQO1SRCPTPN11
SCHEMBL16372364 0.74 SOS2 (0.48) SOS2CTSBEGLN2NQO1KDM4E
SCHEMBL24141635 0.74 EGLN2 (0.39) SOS2EGLN2NQO1ALDH1A1
SCHEMBL1449669 0.74 EGLN2 (0.43) SOS2EGLN2NQO1KDM4EALDH1A1
SCHEMBL588462 0.74 EGLN2 (0.50) SOS2EGLN2NQO1
SCHEMBL16834623 0.74 SOS2 (0.44) SOS2CTSBEGLN2NQO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012086735-A1 CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 (JP) 2012-06-28 WO disclosed
EP-1668021-B1 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS FOURNIER LAB SA (FR) 2011-06-22 EP disclosed
US-7470671-B2 Thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therapeutics LABORATOIRE FOURNIER (FR) 2008-12-30 US disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 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-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS SOS2 1320/4885CTSB 2988/4885EGLN2 487/4885

“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.