SCHEMBL4809366

SCHEMBL4809366

CC[C@H](C)[C@@H](C=O)OCc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
MAOB P27338 1/20 0.32
GSK3B P49841 1/20 0.31
BACE1 P56817 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL4803004 1.00 IDO1 (0.38) IDO1MAOBGSK3BBACE1NR3C1
SCHEMBL4802994 1.00 IDO1 (0.38) IDO1MAOBGSK3BBACE1NR3C1
SCHEMBL4807633 0.79 MAOA (0.34) IDO1MAOB
SCHEMBL4807639 0.79 MAOA (0.34) IDO1MAOB
SCHEMBL4804207 0.78 MEN1 (0.41)
SCHEMBL4804204 0.78 MEN1 (0.41)
SCHEMBL4807594 0.78 MEN1 (0.41)
SCHEMBL4800718 0.77 SLC1A2 (0.39) IDO1MAOBGSK3BBACE1
SCHEMBL4807531 0.72 NOS3 (0.39) IDO1MAOBGSK3BBACE1
SCHEMBL4807526 0.72 NOS3 (0.39) IDO1MAOBGSK3BBACE1

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-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV IDO1 4123/4885MAOB 3097/4885GSK3B 962/4885

“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.