SCHEMBL4807639

SCHEMBL4807639

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
IDO1 P14902 2/20 0.32
CTSL P07711 1/20 0.30
CTSB P07858 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
SCHEMBL4807633 1.00 MAOA (0.34) MAOAMAOBTLR4TLR2IDO1
SCHEMBL4800552 0.82 CTSL (0.45) MAOAMAOBTLR4TLR2CTSL
SCHEMBL4800555 0.82 CTSL (0.45) MAOAMAOBTLR4TLR2CTSL
SCHEMBL4809366 0.79 IDO1 (0.38) MAOBIDO1
SCHEMBL4803004 0.79 IDO1 (0.38) MAOBIDO1
SCHEMBL4802994 0.79 IDO1 (0.38) MAOBIDO1
SCHEMBL4806232 0.76 CTSL (0.30) MAOAMAOBTLR4TLR2CTSL
SCHEMBL4806217 0.76 CTSL (0.30) MAOAMAOBTLR4TLR2CTSL
SCHEMBL4800718 0.67 SLC1A2 (0.39) MAOBIDO1
SCHEMBL4798572 0.66 CTSL (0.33) MAOAMAOBTLR4TLR2CTSL

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 MAOA 3714/4885MAOB 3097/4885TLR4 1184/4885

“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.