SCHEMBL5494852

SCHEMBL5494852

COC(=O)CCC(N)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC15A1 P46059 1/20 0.49
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47
LTA4H P09960 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
LAP3 P28838 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Phenylalanine SCHEMBL27597013 0.88 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7289816 0.83 MMP2 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL23551868 0.83 MMP2 (0.51) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL23525216 0.82 MMP2 (0.50) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL23525218 0.82 MMP2 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7435853 0.82 SLC1A1 (0.48) SLC7A5LTA4HKDM4EALDH1A1LMNA
SCHEMBL28597069 0.80 SLC7A5 (0.76) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12869912 0.79 LTA4H (0.54) SLC7A5SLC15A1LTA4HKDM4EALDH1A1
SCHEMBL11101522 0.79 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17375358 0.79 LTA4H (0.54) SLC7A5SLC15A1LTA4HKDM4EALDH1A1

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-7189708-B2 Topical composition for skin KAO CORPORATION (JP) 2007-03-13 US disclosed
EP-1090625-B1 Topical composition for the skin and use thereof KAO CORP (JP) 2004-12-22 EP disclosed
US-20030087833-A1 Topical composition for skin KAO CORPORATION (JP) 2003-05-08 US disclosed
US-6489291-B1 Topical composition for skin KAO CORPORATION (JP) 2002-12-03 US disclosed
EP-1090625-A2 Topical composition for the skin and use thereof Kao Corporation (JP) 2001-04-11 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-20030087833-A1 Topical composition for skin CUTA, SLC38A7, CCR8 SLC7A5 86/4885ALPI 2330/4885PKM 4575/4885

“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.