SCHEMBL6289436

SCHEMBL6289436

COC(=O)c1c(O)cc(CNC(=O)CCCC(=O)O[N+]2(O)C(=O)CCC2=O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.41
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6290004 0.80 EGFR (0.49) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6289432 0.73 TRPV1 (0.42) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6293521 0.72 TRPV1 (0.54) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19549311 0.71 TSHR (0.34) POLBTSHR
SCHEMBL7584584 0.70 CA12 (0.44) TRPV1CYP3A4HPGD
SCHEMBL19549309 0.67 KMT2A (0.32) KMT2A
SCHEMBL1505284 0.66 TSHR (0.42) CYP1A2BLMPMP22TSHRKMT2A
SCHEMBL14432756 0.65 DGKA (0.43) KMT2A
SCHEMBL17204504 0.64 DGKA (0.46) KMT2A
SCHEMBL6289048 0.63 TRPV1 (0.57) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9

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 4696/4885CYP1A2 784/4885CYP3A4 853/4885

“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.