SCHEMBL444742

SCHEMBL444742

Cc1c(-c2ccc(F)cc2F)ccc(O)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.54
DHFR P00374 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
ALB P02768 1/20 0.54
HMGB1 P09429 1/20 0.54
HPGD P15428 1/20 0.54
CXCL12 P48061 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
ACMSD Q8TDX5 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42

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
SCHEMBL27722167 0.83 ACMSD (0.49) DHFRCA1CA2KDM4EHPGD
SCHEMBL2788974 0.79 CA1 (0.41) TTRDHFRCA1CA2KDM4E
SCHEMBL20622691 0.76 CA1 (0.46) CA1CA2KDM4EMEN1LMNA
SCHEMBL29101726 0.75 TTR (0.47) TTRDHFRCA1CA2KDM4E
SCHEMBL11481393 0.74 TTR (0.43) TTRDHFRCA1CA2KDM4E
SCHEMBL5696290 0.72 TTR (0.57) TTRDHFRCA1CA2KDM4E
Diflunisal SCHEMBL5602855 0.72 ACMSD (0.82) TTRDHFRCA1CA2KDM4E
SCHEMBL16429102 0.72 CA1 (0.51) TTRDHFRCA1CA2KDM4E
SCHEMBL1520727 0.71 CA12 (0.54) CA1CA2KDM4EALDH1A1CA12
SCHEMBL21756068 0.71 TRPA1 (0.46) TTRDHFRCA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2015-01-22 US disclosed
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-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-10 US disclosed
US-8466197-B2 Thiocarbonates as anti-inflammatory and antioxidant compounds useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-06-18 US disclosed
WO-2012080371-A1 NEW THIOCARBONATES AS ANTI-INFLAMMATORY AND ANTIOXIDANT COMPOUNDS USEFUL FOR TREATING METABOLIC DISORDERS GENMEDICA THERAPEUTICS SL (ES) 2012-06-21 WO disclosed
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2012-06-14 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-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 (6 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 TTR 1/4885DHFR 331/4885CA1 4313/4885
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP TTR 1/4885DHFR 331/4885CA1 4313/4885
US-20130267726-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 TTR 558/4885DHFR 1815/4885CA1 4299/4885
US-20120149769-A1 Thiocarbonates as Anti-Inflammatory and Antioxidant Compounds Useful For Treating Metabolic Disorders CPT1B, LTC4S, TXNRD2 TTR 558/4885DHFR 1815/4885CA1 4299/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 TTR 2294/4885DHFR 2469/4885CA1 1993/4885
US-20060057644-A1 Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding TTR, TTPA, PRNP TTR 1/4885DHFR 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.