SCHEMBL444743

SCHEMBL444743

Cc1c(F)ccc(-c2ccc(O)c(C(=O)O)c2)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 7/20 0.62
DHFR P00374 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TTR P02766 1/20 0.62
ALB P02768 1/20 0.62
HMGB1 P09429 1/20 0.62
HPGD P15428 1/20 0.62
CXCL12 P48061 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MCL1 Q07820 9/20 0.56
HNF4A P41235 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
SCHEMBL24460173 0.81 ACMSD (0.73) ACMSDDHFRCA1CA2KDM4E
SCHEMBL4428964 0.79 ACMSD (0.77) ACMSDDHFRCA1CA2KDM4E
SCHEMBL11691795 0.78 MCL1 (0.73) ACMSDDHFRCA1CA2KDM4E
SCHEMBL3690056 0.78 ACMSD (0.73) ACMSDDHFRCA1CA2KDM4E
Diflunisal SCHEMBL3848363 0.77 ACMSD (1.00) ACMSDDHFRCA1CA2KDM4E
Diflunisal SCHEMBL4337 0.77 ACMSD (1.00) ACMSDDHFRCA1CA2KDM4E
Diflunisal SCHEMBL30509654 0.77 ACMSD (1.00) ACMSDDHFRCA1CA2KDM4E
Diflunisal SCHEMBL29367380 0.77 ACMSD (1.00) ACMSDDHFRCA1CA2KDM4E
Diflunisal SCHEMBL28350701 0.77 ACMSD (0.91) ACMSDDHFRCA1CA2KDM4E
SCHEMBL2512415 0.76 ACMSD (0.65) ACMSDDHFRCA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7560488-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
EP-1988397-A1 Compositions and method for stabilizing transthyretin and inhibiting transthyretin misfolding The Scripps Research Institute (US) 2008-11-05 EP disclosed
EP-1587821-B1 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING SCRIPPS RESEARCH INST (US) 2008-08-20 EP 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 ACMSD 4308/4885DHFR 331/4885CA1 4313/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP ACMSD 4308/4885DHFR 331/4885CA1 4313/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP ACMSD 4308/4885DHFR 331/4885CA1 4313/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP ACMSD 4088/4885DHFR 586/4885CA1 4470/4885

“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.