SCHEMBL3594439

SCHEMBL3594439

COC(=O)C(N)CCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
NOS1 P29475 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
DGAT1 O75907 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.33
CA7 P43166 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL8639283 1.00 LTA4H (0.41) LTA4HNOS1NOS3NOS2DGAT1
Hydrochloric Acid SCHEMBL4910187 0.98 LTA4H (0.40) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL6985035 0.92 LTA4H (0.40) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL3294154 0.92 NOS1 (0.42) LTA4HNOS1NOS3NOS2DGAT1
Hydrochloric Acid SCHEMBL8498105 0.91 LTA4H (0.39) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL27596147 0.88 CA12 (0.38) LTA4HNOS1NOS3NOS2DGAT1
Acetic Acid SCHEMBL11217172 0.88 LTA4H (0.40) LTA4HNOS1NOS3NOS2CA12
Hydrochloric Acid SCHEMBL28464794 0.86 CA12 (0.37) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL25412373 0.86 NOS1 (0.43) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL11776470 0.85 SMN1; SMN2 (0.42) LTA4HCA14CA1CA2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101675059-A Macrocyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2010-03-17 CN disclosed
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP 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 (1 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 LTA4H 2041/4885NOS1 2890/4885NOS3 3057/4885

“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.