SCHEMBL337806

SCHEMBL337806

CCOC(=O)c1ccc(O)c(I)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.72
CA12 O43570 6/20 0.72
CA1 P00915 6/20 0.72
CA2 P00918 6/20 0.72
CA7 P43166 6/20 0.72
CA9 Q16790 6/20 0.72
CA14 Q9ULX7 6/20 0.72
HSD17B2 P37059 1/20 0.64
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PTPN11 Q06124 1/20 0.48
HCRTR1 O43613 1/20 0.48
STS P08842 1/20 0.47

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
SCHEMBL31347271 0.87 CA1 (0.59) ESR1CA12CA1CA2CA7
SCHEMBL1313506 0.86 CA12 (0.72) ESR1CA12CA1CA2CA7
SCHEMBL28417178 0.86 CA12 (0.61) ESR1CA12CA1CA2CA7
SCHEMBL2228061 0.84 CA12 (0.59) ESR1CA12CA1CA2CA7
SCHEMBL30410030 0.84 CA12 (0.59) ESR1CA12CA1CA2CA7
SCHEMBL39791 0.84 CA12 (1.00) ESR1CA12CA1CA2CA7
SCHEMBL29625511 0.84 CA12 (1.00) ESR1CA12CA1CA2CA7
SCHEMBL2785954 0.84 CA12 (0.55) ESR1CA12CA1CA2CA7
SCHEMBL7590031 0.83 CA12 (0.57) ESR1CA12CA1CA2CA7
SCHEMBL26586724 0.83 ESR1 (0.63) ESR1CA12CA1CA2CA7

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-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
US-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. 2012-05-24 US disclosed
US-8097652-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2012-01-17 US disclosed
US-8097652-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2012-01-17 US disclosed
US-8097652-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2012-01-17 US disclosed
US-7718815-B2 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-05-18 US disclosed
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2010-01-14 US disclosed
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2010-01-14 US disclosed
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2010-01-14 US disclosed
WO-2009154780-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2008073789-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-06-19 WO disclosed
US-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders NEWRON PHARMACUETICALS S.P.A (IT) 2008-06-05 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
WO-2005070405-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF LOWER URINARY TRACT DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-08-04 WO disclosed
EP-1557166-A1 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders Newron Pharmaceuticals S.p.A. (IT) 2005-07-27 EP disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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-20120129828-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF S1PR1, S1PR5, S1PR2 ESR1 1480/4885CA12 4575/4885CA1 4415/4885
US-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 ESR1 671/4885CA12 2225/4885CA1 522/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C ESR1 4000/4885CA12 2396/4885CA1 2414/4885
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS GRIN1, GRIK2, GRIK1 ESR1 1155/4885CA12 2984/4885CA1 856/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 ESR1 1508/4885CA12 4853/4885CA1 4856/4885
US-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders AADAT, BCAT2, DNPEP ESR1 4120/4885CA12 1756/4885CA1 2532/4885

“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.