Sugi Predict

Sugi Predict / Compounds / SCHEMBL186313

SCHEMBL186313

SCHEMBL186313

O=C(O)c1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ PLA2G4B P0C869 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.48
▸ RXRA P19793 6/20 0.47
▸ RXRB P28702 5/20 0.47
▸ NR4A2 P43354 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ SRD5A2 P31213 1/20 0.46
▸ RXRG P48443 1/20 0.45

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
SCHEMBL12647546 0.91 CA12 (0.71) CA12CA1CA2CA4CA9
SCHEMBL186786 0.85 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL12861014 0.84 MAOB (0.59) CA12CA1CA2CA4CA9
SCHEMBL3642316 0.84 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL187219 0.84 CA1 (0.55) CA12CA1CA2CA4CA9
SCHEMBL23927597 0.82 TDP1 (0.47) CA12CA1CA2CA4CA9
SCHEMBL3867061 0.81 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL220304 0.81 CA2 (0.53) CA12CA1CA2CA4CA9
SCHEMBL4128246 0.80 CA2 (0.50) CA12CA1CA2CA4CA9
SCHEMBL22227473 0.80 CA2 (0.48) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131378-A1 PROCESS FOR PREPARING 4-NITRO-OXY-METHYL-BENZOIC ACID NICOX S.A. (FR) 2013-05-23 — — US claimed
EP-2501671-A1 PROCESS FOR PREPARING 4-NITRO-OXY-METHYL-BENZOIC ACID Ferrer Internacional, S.A. (ES) 2012-09-26 — — EP claimed
WO-2011058162-A1 PROCESS FOR PREPARING 4-NITRO-OXY-METHYL-BENZOIC ACID FERRER INTERNACIONAL, S.A. (ES) 2011-05-19 — — WO claimed
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 — — EP claimed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 — — US claimed
EP-1748994-A1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NicOx S.A. (FR) 2007-02-07 — — EP claimed
CN-1906182-A Nitrooxyderivatives of antihypertensive agents NICOX SA (FR) 2007-01-31 — — CN claimed
US-7166605-B2 Probucol nitro-derivatives NICOX, S.A. (FR) 2007-01-23 — — US claimed
US-20060167003-A1 Probucol derivatives NICOX S.A. (FR) 2006-07-27 — — US claimed
WO-2005054218-A1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX S.A. (FR) 2005-06-16 — — WO claimed
EP-1521740-A2 PROBUCOL DERIVATIVES Nicox S.A. (FR) 2005-04-13 — — EP claimed
WO-2003080568-A2 PROBUCOL DERIVATIVES NICOX S.A. (FR) 2003-10-02 — — WO claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 — — EP claimed
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 — — US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 — — EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技（上海）有限公司 2021-10-26 — — CN disclosed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 — — EP disclosed
US-20030153545-A1 Methods of making 21-[4'-(nitrooxyalkyl)benzoate] corticosteroid derivatives and intermediates useful in the synthesis thereof NICOX S.A. (FR) 2003-08-14 — — US disclosed
WO-2002094942-A1 METHOD OF PURIFYING POLYCYCLIC DYES OPTIVA, INC. (US) 2002-11-28 — — WO disclosed
WO-2002094758-A1 METHODS OF MAKING 21-[4'-(NITROOXYALKYL) BENZOATE] CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF NICOX S. A. (FR) 2002-11-28 — — 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-20130131378-A1 PROCESS FOR PREPARING 4-NITRO-OXY-METHYL-BENZOIC ACID RIOX2, GABBR2, GABBR1 CA12 1024/4885CA1 227/4885CA2 77/4885
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs ADRB2, ADRB1, ADRA2B CA12 4213/4885CA1 4308/4885CA2 367/4885
US-20060167003-A1 Probucol derivatives PNLIP, APOB, LIPC CA12 4215/4885CA1 4801/4885CA2 4741/4885
US-20030153545-A1 Methods of making 21-[4'-(nitrooxyalkyl)benzoate] corticosteroid derivatives and intermediates useful in the synthesis thereof CYP11B1, CYP17A1, CYP21A2 CA12 1470/4885CA1 1823/4885CA2 2168/4885
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 CA12 3629/4885CA1 1175/4885CA2 228/4885

“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.