SCHEMBL6292888

SCHEMBL6292888

N#CCOC(=O)c1ccc(CNC(=O)CCCC(=O)OC(=O)CC/C(=N/O)OC(=O)CCCC(=O)NCc2ccc(C(=O)OCC#N)c(O)c2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.39
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
KDM1A O60341 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6290003 0.81 EGFR (0.51) TRPV1EGFRSRCALDH1A1CYP1A2
SCHEMBL6733954 0.78 TRPV1 (0.39) TRPV1EGFRSRCALDH1A1CYP1A2
SCHEMBL6289432 0.76 TRPV1 (0.42) TRPV1ALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL7605137 0.74 TRPV1 (0.44) TRPV1ALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL6292886 0.71 EGFR (0.38) TRPV1EGFRSRCALDH1A1MEN1
SCHEMBL6292860 0.68 EGFR (0.39) TRPV1EGFRSRCALDH1A1MEN1
SCHEMBL7606944 0.68 EGFR (0.42) EGFRSRCALDH1A1SMN1; SMN2HPGD
SCHEMBL7647489 0.67 ERCC1 (0.37) EGFRSRCCYP3A4ALOX15KDM4E
SCHEMBL7647483 0.67 ERCC1 (0.38) EGFRSRCCYP3A4ALOX15KDM4E
SCHEMBL7647486 0.67 ERCC1 (0.38) EGFRSRCCYP3A4ALOX15KDM4E

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 TRPV1 4696/4885EGFR 699/4885SRC 3795/4885

“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.