SCHEMBL4017246

SCHEMBL4017246

NCCCSCC(N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.58
ARG2 P78540 1/20 0.58
NOS2 P35228 3/20 0.57
GSR P00390 1/20 0.52
NOS1 P29475 2/20 0.51
NOS3 P29474 1/20 0.51
BHMT Q93088 5/20 0.46

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
SCHEMBL4017239 1.00 ARG1 (0.58) ARG1ARG2NOS2GSRNOS1
Aspartic Acid SCHEMBL7373778 0.88 NOS2 (0.48) ARG1ARG2NOS2GSRNOS1
SCHEMBL296784 0.87 ARG1 (0.62) ARG1ARG2NOS2GSRNOS1
SCHEMBL9821119 0.87 ARG1 (0.62) ARG1ARG2NOS2GSRNOS1
SCHEMBL110108 0.87 ARG1 (0.62) ARG1ARG2NOS2GSRNOS1
Bromide SCHEMBL5505430 0.85 ARG1 (0.60) ARG1ARG2NOS2GSRNOS1
Bromide SCHEMBL5505432 0.85 ARG1 (0.60) ARG1ARG2NOS2GSRNOS1
Hydrochloric Acid SCHEMBL17633808 0.85 ARG1 (0.60) ARG1ARG2NOS2GSRNOS1
Hydrochloric Acid SCHEMBL9815370 0.85 ARG1 (0.60) ARG1ARG2NOS2GSRNOS1
Hydrochloric Acid SCHEMBL8472319 0.85 ARG1 (0.60) ARG1ARG2NOS2GSRNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074137-A1 COMPOUNDS AS APTAMER-DIMERS AND THEIR USES IN DIAGNOSIS AND THERAPY Bayer Schering Pharma Aktiengesellschaft (DE) 2009-07-01 EP disclosed
US-20080207523-A1 COMPOUNDS AS APTAMER-DIMERS AND THEIR USES IN DIAGNOSIS AND THERAPY BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1208116-B1 SOMATOSTATIN ANALOGS, RADIOLABELLED DERIVATIVES THEREOF AND THEIR USE XANTHUS PHARMACEUTICALS INC (US) 2008-04-30 EP disclosed
US-7351398-B2 Stabilization of radiopharmaceutical compositions using hydrophilic thioethers CIS BIO INTERNATIONAL (FR) 2008-04-01 US disclosed
US-7351397-B2 Stabilization of radiopharmaceutical compositions using hydrophilic 6-hydroxy chromans CIS BIO INTERNATIONAL (FR) 2008-04-01 US disclosed
WO-2008028530-A1 COMPOUNDS AS APTAMER-DIMERS AND THEIR USES IN DIAGNOSIS AND THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
EP-1897886-A1 Compounds as aptamer-dimers and their uses in diagnosis and therapy Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-12 EP disclosed
EP-1808184-A2 Stabilisation of radiopharmaceutical compositions using a hydrophilic thioether or a hydrophilic 6-hydroxy chroman CIS bio international (FR) 2007-07-18 EP disclosed
US-7238340-B1 Monoamine, diamide, thiol-containing metal chelating agents CIS BIO INTERNATIONAL (FR) 2007-07-03 US disclosed
US-20070066516-A1 Compounds comprising cyclized somatostatin receptor binding peptides SCHERING AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
CN-1158090-A Metal chelating agent containing monoamine, hydrazine and thiol DIATECH INC (US) 1997-08-27 CN disclosed
EP-0775160-A1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATECH, INC. (US) 1997-05-28 EP disclosed
US-5620675-A MEDICAL DIAGNOSIS DIATECH, INC. (US) 1997-04-15 US disclosed
EP-0720621-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES Diatide, Inc. (US) 1996-07-10 EP disclosed
WO-1996004308-A1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATECH, INC. (US) 1996-02-15 WO disclosed
WO-1995033497-A1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1995-12-14 WO disclosed
EP-0649434-A1 RADIOACTIVELY-LABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES Diatide, Inc. (US) 1995-04-26 EP disclosed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO disclosed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO disclosed
WO-1994000489-A2 RADIOACTIVELY-LABELED SOMATOSTANTIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1994-01-06 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 (2 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-20080207523-A1 COMPOUNDS AS APTAMER-DIMERS AND THEIR USES IN DIAGNOSIS AND THERAPY PCNA, ADAR, TYMP ARG1 2195/4885ARG2 2396/4885NOS2 4178/4885
US-20070066516-A1 Compounds comprising cyclized somatostatin receptor binding peptides SSTR5, SSTR4, SSTR3 ARG1 1687/4885ARG2 2528/4885NOS2 3580/4885

“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.