SCHEMBL3533719

SCHEMBL3533719

C[C@H](CSC(=O)CCCO[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.52
REN P00797 4/20 0.52
ACE2 Q9BYF1 2/20 0.50
KDM4E B2RXH2 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
PEPD P12955 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS1 P23219 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
HRH1 P35367 1/20 0.50
THPO P40225 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 1/20 0.41

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
SCHEMBL14600061 0.97 ACE (0.51) ACERENACE2KDM4EF2
SCHEMBL14600156 0.90 ACE (0.41) ACERENACE2KDM4EF2
SCHEMBL14600157 0.90 ACE (0.41) ACERENACE2KDM4EF2
SCHEMBL14600081 0.89 REN (0.46) ACERENACE2KDM4EF2
SCHEMBL14600067 0.88 ACE (0.48) ACERENACE2KDM4EF2
SCHEMBL5570183 0.88 ACE (0.48) ACERENACE2KDM4EF2
SCHEMBL14600080 0.86 REN (0.45) ACERENACE2KDM4EF2
SCHEMBL14600082 0.86 REN (0.45) ACERENACE2KDM4EF2
SCHEMBL5569928 0.86 REN (0.45) ACERENACE2KDM4EF2
SCHEMBL5566563 0.85 ACE (0.53) ACERENACE2KDM4EF2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663127-B2 SKIN CARE COMPOSITION PROCTER & GAMBLE (US) 2017-02-15 EP disclosed
EP-1663127-B1 SKIN CARE COMPOSITION PROCTER & GAMBLE (US) 2013-04-24 EP disclosed
US-7723529-B2 Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
US-7723529-B2 Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof NICOX S.A. (FR) 2010-05-25 US disclosed
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 disclosed
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 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
US-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed
US-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed
EP-1663127-A2 SKIN CARE COMPOSITION The Procter & Gamble Company (US) 2006-06-07 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-2005025522-A2 SKIN CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2005-03-24 WO disclosed
US-20050053561-A1 Hydrophilic gelling agent; nonionic surfactant comprising polysorbates, polyoxyalkylene hydrogenated castor oil, polyglycerin alkyl esters, polyoxyethylene sterols, and polyoxyethylene hydrogenated sterols; lower alcohol and water; sunscreen agents; nontacky, nongreasy feel THE PROCTER & GAMBLE COMPANY 2005-03-10 US disclosed
US-20040259808-A1 Captopril derivatives NICOX S.A. (FR) 2004-12-23 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 (3 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-20050053561-A1 Hydrophilic gelling agent; nonionic surfactant comprising polysorbates, polyoxyalkylene hydrogenated castor oil, polyglycerin alkyl esters, polyoxyethylene sterols, and polyoxyethylene hydrogenated sterols; lower alcohol and water; sunscreen agents; nontacky, nongreasy feel LSS, LIPA, EBP ACE 4670/4885REN 4438/4885ACE2 4730/4885
US-20040259808-A1 Captopril derivatives REN, ACE, NPPA ACE 2/4885REN 1/4885ACE2 4/4885
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 ACE 3389/4885REN 2027/4885ACE2 3881/4885

“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.