SCHEMBL442096

SCHEMBL442096

O=C(O)c1cccc2oc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.48
KMO O15229 2/20 0.47
NOTUM Q6P988 2/20 0.47
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 1/20 0.45
PIN1 Q13526 1/20 0.45
PTPN2 P17706 2/20 0.45
PTPN1 P18031 2/20 0.45
PTPN5 P54829 2/20 0.45
UTRN P46939 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
P2RY14 Q15391 1/20 0.43
HSPD1 P10809 1/20 0.43
HSPE1 P61604 1/20 0.43
PGR P06401 1/20 0.43
IP6K1 Q92551 1/20 0.43

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
SCHEMBL465889 0.84 NOTUM (0.47) KMONOTUMPARP1ALDH1A1SMN1; SMN2
SCHEMBL121325 0.82 TOP2A (0.65) TOP2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL28926584 0.80 TOP2A (0.59) TOP2APARP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL121768 0.80 IKBKB (0.51) TOP2AKMONOTUMSMN1; SMN2TP53
SCHEMBL29838334 0.80 TOP2A (0.48) TOP2AALDH1A1SMN1; SMN2PTPN2PTPN1
SCHEMBL441953 0.80 DHODH (0.65) KMONOTUMPARP1ALDH1A1SMN1; SMN2
SCHEMBL442954 0.79 DHODH (0.49) TOP2AALDH1A1SMN1; SMN2UTRNMAPT
SCHEMBL438176 0.78 TTR (0.58) KMOALDH1A1PTPN2PTPN1PTPN5
SCHEMBL31261526 0.78 TTR (0.58) KMOALDH1A1PTPN2PTPN1PTPN5
SCHEMBL439112 0.78 HDAC6 (0.58) ALDH1A1PTPN2PTPN1PTPN5UTRN

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 22 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-7214696-B2 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-08 US 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-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INSTITUTE, THE 2006-03-16 US claimed
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
US-7560488-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 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 TOP2A 1567/4885KMO 4375/4885NOTUM 897/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP TOP2A 1567/4885KMO 4375/4885NOTUM 897/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP TOP2A 1567/4885KMO 4375/4885NOTUM 897/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP TOP2A 1658/4885KMO 4198/4885NOTUM 1083/4885

“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.