SCHEMBL4986328

SCHEMBL4986328

CNC(=O)C1CCN(C(=O)c2sc(NC(C)=O)nc2CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGA O60502 6/20 0.34
AOC3 Q16853 4/20 0.33
ALDH1A1 P00352 3/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
CPS1 P31327 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4988776 0.92 AOC3 (0.35) OGAAOC3TSHR
SCHEMBL4988488 0.92 AOC3 (0.32) OGAAOC3APOBEC3GCPS1ABL1
SCHEMBL4991713 0.89 AOC3 (0.34) AOC3ALDH1A1TSHRSMN1; SMN2
SCHEMBL4984498 0.88 OGA (0.39) OGAAOC3
SCHEMBL4986010 0.86 AOC3 (0.36) AOC3POLBKMT2A
SCHEMBL5545473 0.85 OGA (0.37) OGAAOC3
SCHEMBL5504270 0.85 OGA (0.37) OGAAOC3
SCHEMBL4871391 0.84 AOC3 (0.39) AOC3
SCHEMBL4986320 0.83 OGA (0.35) OGAAOC3ALDH1A1APOBEC3GTSHR
SCHEMBL4985391 0.83 OGA (0.41) OGAAOC3POLB

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (2 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB OGA 1488/4885AOC3 202/4885ALDH1A1 927/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 OGA 990/4885AOC3 85/4885ALDH1A1 260/4885

“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.