SCHEMBL439112

SCHEMBL439112

O=C(O)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
UTRN P46939 1/20 0.55
IP6K1 Q92551 1/20 0.55
IP6K3 Q96PC2 1/20 0.55
IP6K2 Q9UHH9 1/20 0.55
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
P2RY14 Q15391 3/20 0.52
HPSE Q9Y251 7/20 0.51
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL438176 0.90 TTR (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31261526 0.90 TTR (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029301 0.87 HDAC6 (0.77) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1675525 0.86 HDAC6 (0.63) HDAC6HPSEHSPD1HSPE1KDM4E
SCHEMBL445014 0.83 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC8HPSE
SCHEMBL1675733 0.82 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5228147 0.82 ESR1 (0.60) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11564007 0.81 HPSE (0.66) HDAC6HPSEKDM4EALDH1A1
SCHEMBL1675540 0.80 HDAC6 (0.71) HDAC6HDAC3HDAC1HDAC8HPSE
SCHEMBL9797021 0.80 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP claimed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US claimed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
EP-2325651-B1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2014-10-08 EP disclosed
US-20140134753-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-05-15 US disclosed
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
US-8168663-B2 Pharmaceutically acceptable salt of 6-carboxy-2-(3,5 dichlorophenyl)-benzoxazole, and a pharmaceutical composition comprising the salt thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-15 US disclosed
EP-1988397-B1 COMPOSITIONS AND USES FOR STABILISING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2011-09-14 EP disclosed
EP-2325651-A2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2011-05-25 EP disclosed
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-13 US disclosed
EP-1587821-A4 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2007-05-09 EP disclosed
US-7214695-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US disclosed
US-20070078186-A1 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE 2007-04-05 US disclosed
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US disclosed
EP-1587821-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING The Scripps Research Institute (US) 2005-10-26 EP disclosed
US-20040152140-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE 2004-08-05 US disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 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 (4 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-20070078186-A1 Methods for treating transthyretin amyloid diseases TTR, TTPA, PRNP HDAC6 2617/4885HDAC3 4673/4885HDAC1 4067/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP HDAC6 2617/4885HDAC3 4673/4885HDAC1 4067/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP HDAC6 2617/4885HDAC3 4673/4885HDAC1 4067/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP HDAC6 3685/4885HDAC3 4838/4885HDAC1 4388/4885

“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.