SCHEMBL910535

SCHEMBL910535

N[C@@H](CCC(=O)OC(=O)OCc1ccccc1)C(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 7/20 0.44
SLC15A1 P46059 1/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL26323603 0.91 LTA4H (0.50) ALDH1A1MAPK1L3MBTL1LTA4HSLC15A1
SCHEMBL6672089 0.89 LTA4H (0.44) ALDH1A1LTA4HSLC1A3SLC1A1KMT2A
SCHEMBL27537171 0.88 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1SLC1A3
SCHEMBL27685709 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1LTA4HSLC15A1
SCHEMBL29113794 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LTA4HSLC15A1
SCHEMBL6874313 0.85 SLC15A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1SLC1A3
SCHEMBL27622821 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7391550 0.83 LTA4H (0.48) ALDH1A1MAPK1L3MBTL1LTA4HSLC15A1
SCHEMBL3985411 0.82 SLC7A5 (0.56) ALDH1A1MAPK1L3MBTL1LTA4HSLC15A1
SCHEMBL7272552 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC15A1SLC1A3

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
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20050106120-A1 Polyester containing active drugs and having amino acids in the main chain & comma; and its preparation method CHENG SHUJUN (CN) 2005-05-19 US disclosed
US-4935536-A TRIALKOXYBENZYL PROTECTED AMINO ACID MILLIPORE CORPORATION (US) 1990-06-19 US disclosed
EP-0292228-A2 Protecting groups for asparagine and glutamine in peptide synthesis MILLIPORE CORPORATION (US) 1988-11-23 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 (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-20050106120-A1 Polyester containing active drugs and having amino acids in the main chain & comma; and its preparation method DAO, ADM2, ARG1 ALDH1A1 806/4885MAPK1 1031/4885L3MBTL1 4395/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 ALDH1A1 4073/4885MAPK1 1877/4885L3MBTL1 3695/4885

“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.