SCHEMBL4698652

SCHEMBL4698652

COc1ccc2c(Cl)c(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
RAD52 P43351 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TRPA1 O75762 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35

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
Trifluoromethanesulfonic Acid SCHEMBL8052264 0.95 SLC2A1 (0.43) SLC2A1RAD52KDM4EHSD11B1PTGS2
SCHEMBL9939378 0.85 SLC2A1 (0.42) SLC2A1RAD52KDM4EHSD11B1LMNA
SCHEMBL9938388 0.84 SLC2A1 (0.41) SLC2A1RAD52KDM4EHSD11B1CYP19A1
SCHEMBL1360283 0.83 SLC2A1 (0.43) SLC2A1RAD52KDM4EHSD11B1LMNA
SCHEMBL5981248 0.82 CYP19A1 (0.38) KDM4ECYP19A1CYP11B1CYP11B2LMNA
SCHEMBL8499219 0.81 L3MBTL1 (0.50) KDM4EHSD11B1LMNAHTTSMN1; SMN2
SCHEMBL1180547 0.81 MTNR1A (0.44) SLC2A1LMNAHTTSMN1; SMN2TDP1
SCHEMBL15283286 0.81 ABCC8 (0.43) SLC2A1RAD52KDM4EHSD11B1LMNA
SCHEMBL1304599 0.81 MTNR1A (0.41) KDM4EHSD11B1L3MBTL1MTNR1AMTNR1B
SCHEMBL1411326 0.80 ALDH1A1 (0.44) L3MBTL1PTGS2

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
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 WO disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 US disclosed
US-6914074-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2005-07-05 US disclosed
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents MEWSHAW RICHARD E (US) 2004-11-11 US disclosed
EP-1453782-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP disclosed
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents WYETH 2003-09-25 US disclosed
WO-2003051805-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 WO disclosed
US-20020156324-A1 BIPHENYL COMPOUNDS AND THEIR USE AS OESTROGENIC AGENTS AVENTIS PHARMA S.A. 2002-10-24 US disclosed
US-6448294-B1 SUCH AS 1,5-DICHORO- OR 5-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL) SUBSTITUTED -6-(4-HYDROXYPHENYL)-2-NAPHTHALENOLS; ANTIUTERO-TROPHIC AND REPLACEMENT TREATMENT OF SYMPTOMS LINKED TO MENOPAUSE PARTICULARLY OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
EP-0880496-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2002-05-29 EP disclosed
US-6365775-B1 ANTIUTEROTROPHIC; TREATMENTS OF SYMPTOMS RELATED TO MENOPAUSE AND PREMENSTRAL SYNDRONE AVENTIS PHARMA S.A. (FR) 2002-04-02 US 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-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA SLC2A1 3395/4885RAD52 2890/4885KDM4E 778/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA SLC2A1 3395/4885RAD52 2890/4885KDM4E 778/4885
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR SLC2A1 1267/4885RAD52 3279/4885KDM4E 1484/4885
US-20020156324-A1 BIPHENYL COMPOUNDS AND THEIR USE AS OESTROGENIC AGENTS SHBG, ESR2, CYP19A1 SLC2A1 1481/4885RAD52 1527/4885KDM4E 2009/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR SLC2A1 1267/4885RAD52 3279/4885KDM4E 1484/4885
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 SLC2A1 281/4885RAD52 3666/4885KDM4E 2728/4885

“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.