SCHEMBL826345

SCHEMBL826345

O=C([N]S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
CES1 P23141 5/20 0.50
CES2 O00748 5/20 0.50
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 2/20 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
SCHEMBL543877 0.78 CES1 (0.55) CA2CA4CA12CA1CA9
SCHEMBL1165410 0.76 CES1 (0.52) CA2CA4CA12CA1CA9
SCHEMBL10443502 0.76 CES1 (0.52) CA2CA4CA12CA1CA9
SCHEMBL611693 0.76 CES1 (0.52) CA2CA4CA12CA1CA9
SCHEMBL8932413 0.75 CA2 (0.54) CA2CA4CA12CA1CA9
SCHEMBL11645892 0.74 CES1 (0.50) CA2CA4CA12CA1CA9
SCHEMBL125975 0.74 CES1 (0.50) CA2CA4CA12CA1CA9
SCHEMBL15713087 0.74 CES1 (0.50) CA2CA4CA12CA1CA9
SCHEMBL743301 0.74 CES1 (0.50) CA2CA4CA12CA1CA9
SCHEMBL14040704 0.74 CES1 (0.57) CA2CA4CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814213-B Modified glycoproteins, protein-conjugates and methods of making the same 西纳福克斯股份有限公司 2021-05-04 CN disclosed
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
US-8455688-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2013-06-04 US disclosed
US-20120178783-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY, INC. 2012-07-12 US disclosed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US disclosed
EP-2200439-A1 HDAC INHIBITORS Lixte Biotechnology, Inc. (US) 2010-06-30 EP disclosed
US-20090143445-A1 HDAC Inhibitors JOHN P. WHITE, ESQ 2009-06-04 US disclosed
WO-2009045440-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2009-04-09 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 (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-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 CA2 1574/4885CA4 281/4885CA12 1654/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 CA2 1501/4885CA4 256/4885CA12 1562/4885

“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.