SCHEMBL1829919

SCHEMBL1829919

O=C(CCCO[N+](=O)[O-])Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.38
PTGS2 P35354 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA4 P22748 3/20 0.34
CA9 Q16790 3/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
PTGS1 P23219 1/20 0.32
TTPA P49638 1/20 0.32

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
SCHEMBL3537574 0.95 ESR2 (0.42) ESR2PTGS2MEN1KMT2ACA12
SCHEMBL1038871 0.94 ESR2 (0.41) ESR2PTGS2MEN1KMT2ACA12
SCHEMBL20486280 0.90 BCL9 (0.34) ESR2PTGS2CA12CA1CA2
SCHEMBL16250391 0.80 ALDH1A1 (0.36) MEN1KMT2AEGFRERBB2BCL9
SCHEMBL20377292 0.80 PTPN7 (0.31)
SCHEMBL3539485 0.79 PTGS2 (0.45) ESR2PTGS2CA12CA1CA2
SCHEMBL4953772 0.78 KMT2A (0.44) MEN1KMT2A
SCHEMBL17337909 0.78 KMT2A (0.48) MEN1KMT2A
SCHEMBL25495837 0.77 KMT2A (0.43) MEN1KMT2A
SCHEMBL21049231 0.77 KMT2A (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof NICOX S.A. (FR) 2007-10-11 US claimed
CN-1984871-A Process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates, intermediates useful in said process and preparation thereof NICOX SA (FR) 2007-06-20 CN claimed
EP-1778617-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NicOx S.A. (FR) 2007-05-02 EP claimed
WO-2006008196-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2006-01-26 WO claimed
CN-108349911-B Nitric oxide releasing prodrug molecules 浙江华海药业股份有限公司 2022-05-13 CN disclosed
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-10-29 US disclosed
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2018-09-06 US disclosed
EP-3348548-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-07-18 EP disclosed
EP-2118120-B1 NITRIC OXIDE RELEASING STEROIDS NICOX SA (FR) 2016-10-05 EP disclosed
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2015-04-16 US disclosed
US-8933062-B2 Nitric oxide releasing steroids NICOX S.A. (FR) 2015-01-13 US disclosed
EP-1778617-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NicOx S.A. (FR) 2007-05-02 EP disclosed
WO-2007045551-A2 RENIN INHIBITORS NITRODERIVATIVES NICOX S.A. (FR) 2007-04-26 WO disclosed
US-20060276523-A1 Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases NICOX S.A. (FR) 2006-12-07 US disclosed
CN-1832742-A Nitrooxy derivatives of losartan, valsartan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin II receptor blockers for the treatment of cardiovascular diseases NICOX SA (FR) 2006-09-13 CN disclosed
WO-2006079610-A1 NITROOXY SARTAN DERIVATIVES AS ANGIOTENSIN II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES NICOX S.A. (FR) 2006-08-03 WO disclosed
EP-1653950-A2 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-05-10 EP disclosed
WO-2006008196-A1 PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF NICOX S.A. (FR) 2006-01-26 WO disclosed
WO-2005011646-A2 NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2005-02-10 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 (5 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-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 ESR2 212/4885PTGS2 121/4885MEN1 1142/4885
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines PTGIS, NOS1, NOS2 ESR2 3881/4885PTGS2 23/4885MEN1 3887/4885
US-20070238882-A1 Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof OTUB1, TET1, TET3 ESR2 3446/4885PTGS2 660/4885MEN1 3860/4885
US-20180250305-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE NOS1, NOS2, PTGIS ESR2 2294/4885PTGS2 16/4885MEN1 3406/4885
US-20060276523-A1 Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases AGTR2, AGTR1, REN ESR2 107/4885PTGS2 359/4885MEN1 4208/4885

“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.