SCHEMBL6702832

SCHEMBL6702832

CC(C)CC(C(=O)OC(C)(C)C)N1C(=O)N(Cc2ccccc2)C(C)(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.36
NR3C2 P08235 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MDM2 Q00987 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
ESR1 P03372 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL6702825 1.00 ABCB1 (0.36) ABCB1NR3C2MAPTKDM4ETDP1
SCHEMBL4378315 0.89 RORC (0.35) MAPTTDP1MDM2MEN1KMT2A
SCHEMBL6702531 0.86 L3MBTL1 (0.33) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL6702534 0.86 L3MBTL1 (0.33) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL6702827 0.82 MDM2 (0.35) NR3C2MAPTMDM2GAAPRSS1
SCHEMBL6703355 0.80 MDM2 (0.40) NR3C2MAPTMDM2GAAPRMT5
SCHEMBL6703358 0.80 MDM2 (0.40) NR3C2MAPTMDM2GAAPRMT5
SCHEMBL6703359 0.80 MDM2 (0.40) NR3C2MAPTMDM2GAAPRMT5
SCHEMBL4377559 0.78 GAA (0.42) KMT2AALDH1A1L3MBTL1GAA
SCHEMBL4383332 0.78 GAA (0.42) KMT2AALDH1A1L3MBTL1GAA

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 ABCB1 433/4885NR3C2 813/4885MAPT 4759/4885

“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.