SCHEMBL6289917

SCHEMBL6289917

CCOC(=O)c1ccc(CNC(=O)CCCCCN)cc1OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
TRPV1 Q8NER1 8/20 0.43

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
Trifluoroacetic Acid SCHEMBL6289920 0.83 TRPV1 (0.49) EPHX2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6289473 0.76 MMP2 (0.39) CYP3A4
SCHEMBL6289463 0.69 ACHE (0.43) ALDH1A1ALOX15
SCHEMBL16785550 0.67 CYP3A4 (0.60) EPHX2ALDH1A1CYP3A4HPGDTRPV1
SCHEMBL8393845 0.67 TRPV1 (0.50) EPHX2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17335527 0.66 EPHX2 (0.61) EPHX2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15678793 0.66 LMNA (0.76) ALDH1A1CYP3A4HPGD
SCHEMBL21998933 0.66 HTT (0.71) EPHX2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17335642 0.66 EPHX2 (0.79) EPHX2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1949206 0.66 CA1 (0.51) EPHX2CYP3A4TRPV1

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 EPHX2 292/4885ALDH1A1 3191/4885CYP1A2 784/4885

“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.