SCHEMBL6468346

SCHEMBL6468346

CON(C)C(=O)N(CCCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.45
PAX8 Q06710 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
AOC3 Q16853 1/20 0.42
ABCB1 P08183 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX5 P09917 2/20 0.41

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
SCHEMBL7799705 0.90 CCR6 (0.38) CCR6PAX8ALDH1A1MAPTHPGD
SCHEMBL6466553 0.85 AOC3 (0.47) AOC3SIGMAR1ALOX5
SCHEMBL7047948 0.83 L3MBTL1 (0.43) AOC3SIGMAR1ALOX5
SCHEMBL11210893 0.78 AOC3 (0.46) ALDH1A1AOC3SIGMAR1ALOX5
SCHEMBL25526046 0.76 ALDH1A1 (0.49) CCR6PAX8ALDH1A1MAPTHPGD
SCHEMBL6181959 0.74 CTSL (0.40) CCR6PAX8
SCHEMBL13181407 0.74 LTB4R (0.56) ALDH1A1MAPTHPGD
SCHEMBL4694106 0.74 SIGMAR1 (0.46) ALDH1A1MAPTHPGDABCB1SIGMAR1
SCHEMBL6183071 0.73 ALDH1A1 (0.43) CCR6PAX8ALDH1A1
SCHEMBL8736574 0.73 ALOX5 (0.58) ALDH1A1MAPTALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CCR6 2563/4885PAX8 4751/4885ALDH1A1 3027/4885

“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.