SCHEMBL6290004

SCHEMBL6290004

COC(=O)c1ccc(CNC(=O)CCC(=O)O[N+]2(O)C(=O)CCC2=O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
TRPV1 Q8NER1 9/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ERCC1 P07992 2/20 0.38
ERCC4 Q92889 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6289436 0.80 TRPV1 (0.41) TRPV1ALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL6290003 0.74 EGFR (0.51) EGFRSRCTRPV1CA12CA1
SCHEMBL6289048 0.74 TRPV1 (0.57) EGFRSRCTRPV1CA12CA1
SCHEMBL14401631 0.71 SMN1; SMN2 (0.56) EGFRSRCTRPV1CA12CA1
Hydrochloric Acid SCHEMBL6292854 0.69 CA12 (0.59) EGFRSRCTRPV1CA12CA1
SCHEMBL6289101 0.67 TRPV1 (0.49) EGFRSRCTRPV1ALDH1A1CYP1A2
SCHEMBL13024608 0.67 CA12 (0.50) EGFRSRCTRPV1CA12CA1
SCHEMBL13867923 0.67 EGFR (0.47) EGFRSRCTRPV1CA12CA1
SCHEMBL13867921 0.67 LCK (0.48) EGFRSRCTRPV1CA12CA1
SCHEMBL17201140 0.67 CA12 (0.65) EGFRCA12CA1CA2CA7

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

“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.