SCHEMBL826320

SCHEMBL826320

O=C(OOC(=O)c1ccccc1S)c1ccccc1S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
LMNA P02545 2/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
ALOX15 P16050 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 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
SCHEMBL7546731 0.90 LMNA (0.65) MAPTHDAC8LMNAF2ALDH1A1
SCHEMBL29074431 0.86 MAPT (0.60) MAPTHDAC8LMNAF2ALDH1A1
SCHEMBL28230005 0.82 MAPT (0.56) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL7651665 0.82 MAPT (0.56) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL212175 0.82 TSHR (0.61) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL11281802 0.79 NPC1 (0.56) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL28479127 0.79 MAPT (0.52) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL7325258 0.79 MAPT (0.52) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL943555 0.79 HSD17B10 (0.63) MAPTHDAC8LMNAALDH1A1TSHR
SCHEMBL1821914 0.77 MAPT (0.68) MAPTHDAC8ALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
US-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY LIXTE BIOTECHNOLOGY, INC. (US) 2016-01-14 US 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
US-20050261298-A1 Methods of treating conditions associated with an Edg-7 receptor MANIV ENERGY CAPITAL 2005-11-24 US disclosed
EP-1513522-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR SRI INTERNATIONAL (US) 2005-03-16 EP disclosed
US-20040167165-A1 Methods of treating conditions associated with an Edg-7 receptor MANIV ENERGY CAPITAL 2004-08-26 US disclosed
WO-2003062392-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR CERETEK LLC (US) 2003-07-31 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 (5 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-20160008336-A1 HDAC INHIBITORS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY HDAC5, HDAC1, HDAC4 MAPT 501/4885HDAC8 10/4885LMNA 2220/4885
US-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 MAPT 4418/4885HDAC8 6/4885LMNA 2276/4885
US-20040167165-A1 Methods of treating conditions associated with an Edg-7 receptor EDNRA, EDNRB, ESRRG MAPT 4353/4885HDAC8 1311/4885LMNA 3806/4885
US-20050261298-A1 Methods of treating conditions associated with an Edg-7 receptor EDNRA, EDNRB, ESRRG MAPT 4353/4885HDAC8 1311/4885LMNA 3806/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 MAPT 4407/4885HDAC8 5/4885LMNA 2284/4885

“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.