SCHEMBL5388588

SCHEMBL5388588

COc1cc2c(cc1OC)CC(NC(=O)OC(C)(C)C)(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CXCR5 P32302 4/20 0.38
GHSR Q92847 1/20 0.38
FAAH O00519 1/20 0.37
SLC18A2 Q05940 1/20 0.35
CTSL P07711 1/20 0.34
PROC P04070 1/20 0.34

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
SCHEMBL5393170 0.82 CXCR5 (0.50) CXCR5GHSR
SCHEMBL1425219 0.81 GHSR (0.53) CXCR5GHSR
SCHEMBL29707280 0.81 GHSR (0.53) CXCR5GHSR
SCHEMBL30663978 0.80 GHSR (0.41) CXCR5GHSR
SCHEMBL26605089 0.80 GHSR (0.41) CXCR5GHSR
SCHEMBL2405143 0.80 NR1H2 (0.43) CXCR5GHSR
SCHEMBL30758557 0.78 GHSR (0.39) CXCR5GHSR
SCHEMBL5404964 0.78 GHSR (0.47) CXCR5GHSR
SCHEMBL28252154 0.77 GAA (0.39) GAAGHSR
SCHEMBL27536155 0.76 LMNA (0.45) ALDH1A1GAAKDM4ECXCR5FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265220-B2 Amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATORIES SERVIER (FR) 2007-09-04 US disclosed
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATOIRES SERVIER (FR) 2005-04-21 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 (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-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative ARGLU1, PNISR, ATIC ALDH1A1 4205/4885GAA 3452/4885KDM4E 4404/4885

“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.