SCHEMBL826784

SCHEMBL826784

[NH]C(=O)c1ccccc1S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
HDAC8 Q9BY41 1/20 0.62
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SRC P12931 1/20 0.37
MDM4 O15151 2/20 0.36
TP53 P04637 2/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
HMGB1 P09429 1/20 0.36

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
SCHEMBL9545865 0.81 ALDH1A1 (0.53) MAPTHDAC8ALDH1A1ALOX15CA1
SCHEMBL1821914 0.79 MAPT (0.68) MAPTHDAC8ALDH1A1ALOX15CA1
SCHEMBL898951 0.77 MAPT (0.65) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL31208541 0.77 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL28313023 0.77 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
SCHEMBL5707058 0.77 ALDH1A1 (0.43) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL629705 0.77 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
Thiosalicylic Acid SCHEMBL50376 0.77 MAPT (1.00) MAPTHDAC8ALDH1A1ALOX15CA1
SCHEMBL9522207 0.75 MAPT (0.62) MAPTHDAC8ALDH1A1ALOX15CA1
SCHEMBL1738490 0.75 MAPT (0.70) MAPTHDAC8ALDH1A1ALOX15CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019177-A1 AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO claimed
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
WO-2005019177-A1 AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 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 MAPT 4418/4885HDAC8 6/4885ALDH1A1 2826/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 MAPT 4407/4885HDAC8 5/4885ALDH1A1 2891/4885

“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.