SCHEMBL6703358

SCHEMBL6703358

C[C@@H](C(=O)O)N1C(=O)N(Cc2ccccc2)[C@](C)(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.40
NR3C2 P08235 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
PRMT5 O14744 5/20 0.37
WDR77 Q9BQA1 5/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL6703359 1.00 MDM2 (0.40) MDM2NR3C2GAAMAPTGFER
SCHEMBL6703355 1.00 MDM2 (0.40) MDM2NR3C2GAAMAPTGFER
SCHEMBL6703343 0.85 FNTA (0.36) SLC1A2FNTAFNTB
SCHEMBL6703341 0.85 FNTA (0.36) SLC1A2FNTAFNTB
SCHEMBL6703342 0.85 FNTA (0.36) SLC1A2FNTAFNTB
SCHEMBL6702827 0.83 MDM2 (0.35) MDM2NR3C2GAAMAPTGFER
SCHEMBL6703669 0.81 PGR (0.38) NR3C2GAAMAPTGFERAR
SCHEMBL6703666 0.81 PGR (0.38) NR3C2GAAMAPTGFERAR
SCHEMBL6703672 0.81 PGR (0.38) NR3C2GAAMAPTGFERAR
SCHEMBL6481345 0.81 FNTA (0.44) MDM2GAAMAPTGFERPRMT5

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-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220148-A1 5-Membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, LTB4R, ITGB4 MDM2 4529/4885NR3C2 813/4885GAA 2716/4885

“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.