SCHEMBL4800718

SCHEMBL4800718

CCC(C)C(OCc1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 7/20 0.39
SLC1A1 P43005 7/20 0.39
MAOB P27338 1/20 0.39
SLC1A3 P43003 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
IDO1 P14902 2/20 0.37
MME P08473 3/20 0.36
ACE P12821 3/20 0.36
CPA1 P15085 3/20 0.36
ACE2 Q9BYF1 3/20 0.36
FFAR4 Q5NUL3 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
ATM Q13315 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL4807531 0.85 NOS3 (0.39) MAOBMEN1KMT2AIDO1MMP1
SCHEMBL4807526 0.85 NOS3 (0.39) MAOBMEN1KMT2AIDO1MMP1
SCHEMBL2000459 0.80 SLC1A2 (0.61) SLC1A2SLC1A1SLC1A3MEN1KMT2A
SCHEMBL4803004 0.77 IDO1 (0.38) MAOBIDO1GSK3BBACE1
SCHEMBL4809366 0.77 IDO1 (0.38) MAOBIDO1GSK3BBACE1
SCHEMBL4802994 0.77 IDO1 (0.38) MAOBIDO1GSK3BBACE1
SCHEMBL13500200 0.74 IDO1 (0.38) MAOBIDO1MMP1MMP2MMP9
SCHEMBL13461436 0.74 MAOB (0.35) SLC1A2SLC1A1MAOBMEN1KMT2A
SCHEMBL13499757 0.72 IDO1 (0.36) MAOBIDO1GSK3BBACE1
SCHEMBL4808698 0.71 SLC1A3 (0.41) SLC1A2SLC1A1SLC1A3MEN1KMT2A

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 SLC1A2 2967/4885SLC1A1 2511/4885MAOB 3097/4885

“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.