SCHEMBL6290071

SCHEMBL6290071

CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccc(C(=O)O)c1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
DRD2 P14416 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
NQO2 P16083 1/20 0.42
BCHE P06276 1/20 0.42
CHRM2 P08172 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.42
KCNA5 P22460 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL6290025 0.85 KCNA5 (0.50) CA1NQO2KCNA5
SCHEMBL6292867 0.83 CYP3A4 (0.52) CYP3A4CA1CA2DRD2TDP1
Hydrochloric Acid SCHEMBL8120313 0.83 CYP3A4 (0.43) CYP3A4CA1CA2DRD2MAPT
SCHEMBL6292887 0.83 CYP3A4 (0.53) CYP3A4CA1CA2DRD2TDP1
SCHEMBL6292866 0.81 DRD2 (0.41) CYP3A4CA1CA2DRD2TDP1
SCHEMBL9118035 0.80 CYP3A4 (0.60) CYP3A4CA1CA2DRD2TDP1
SCHEMBL14102774 0.79 CYP3A4 (0.75) CYP3A4CA1CA2TDP1MAPT
SCHEMBL24521598 0.78 CYP3A4 (0.58) CYP3A4CA1CA2DRD2TDP1
SCHEMBL8395672 0.78 HMGB1 (0.55) CYP3A4CA1CA2
SCHEMBL7603561 0.77 CYP3A4 (0.52) CYP3A4CA1CA2DRD2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870065-B2 Bifunctional boronic compound complexing reagents and complexes CAMBREX BIO SCIENCE ROCKLAND, INC. (US) 2005-03-22 US disclosed
US-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes AHLEM CLARENCE N (US) 2003-06-05 US disclosed
US-6414122-B1 BIOCHEMICAL CONJUGATION TO PROTEINS, PEPTIDES, HORMONES, POLYSACCHARIDES, NUCLEIC ACIDS, LIPOSOMES, RADIONUCLIDES, HAPTENS, AND TOXINS PROLINX, INC. 2002-07-02 US disclosed
US-6156884-A Bifunctional boronic compound complexing reagents and complexes PROLINX, INC. (US) 2000-12-05 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-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes CHN2, CFH, COG2 CYP3A4 853/4885CA1 470/4885CA2 75/4885

“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.