SCHEMBL5155568

SCHEMBL5155568

CC(=O)O[C@H]1CCN(COc2c(C)cc(C(=O)O)c(C)c2C)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
FAAH O00519 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
PLA2G1B P04054 1/20 0.30
POLB P06746 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL5152142 0.73 HRH1 (0.43) KDM4E
SCHEMBL5149776 0.67 MAPT (0.47) KDM4E
SCHEMBL19903722 0.66 CYP2D6 (0.46) CYP3A4CYP1A2CYP2D6KDM4EBCHE
SCHEMBL9685669 0.66 BCHE (0.60) BCHEACHE
SCHEMBL3206960 0.66 BCHE (0.60) BCHEACHE
SCHEMBL2893650 0.66 BCHE (0.60) BCHEACHE
SCHEMBL12379039 0.65 KMT2A (0.41) CYP1A2CYP2D6KDM4E
SCHEMBL27633054 0.64 ACHE (0.52) ACHE
SCHEMBL12379055 0.63 KDM4E (0.34) KDM4EPOLB
SCHEMBL7089136 0.63 HSD17B10 (0.46) CYP3A4KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ATM 4800/4885CYP3A4 609/4885CYP1A2 2606/4885

“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.