SCHEMBL6292887

SCHEMBL6292887

CC(C)(C)OC(=O)NCCCCCC(=O)NCc1ccc(O)c(C(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
MAPT P10636 2/20 0.40
DRD2 P14416 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6290071 0.83 CYP3A4 (0.56) CYP3A4CA1CA2TDP1MAPT
SCHEMBL6292891 0.82 CHRM2 (0.45) CYP3A4CA1CA2TDP1CA12
SCHEMBL6292892 0.81 CYP3A4 (0.49) CYP3A4CA1CA2TDP1CA12
SCHEMBL6292867 0.79 CYP3A4 (0.52) CYP3A4CA1CA2TDP1TRPV1
SCHEMBL14102774 0.77 CYP3A4 (0.75) CYP3A4CA1CA2TDP1MAPT
Hydrochloric Acid SCHEMBL6289116 0.77 CYP3A4 (0.44) CYP3A4CA1CA2TRPV1
SCHEMBL6292885 0.77 CYP3A4 (0.53) CYP3A4CA1CA2TDP1CA12
SCHEMBL9118035 0.76 CYP3A4 (0.60) CYP3A4CA1CA2TDP1CA12
SCHEMBL7207224 0.74 TDP1 (0.69) CYP3A4CA1CA2TDP1CA12
SCHEMBL24521598 0.74 CYP3A4 (0.58) CYP3A4CA1CA2TDP1HDAC3

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 11 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
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 EP 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
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO 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.