SCHEMBL4504732

SCHEMBL4504732

COc1ccc(COc2cccc(OCC3CC3)c2-c2cc([C@@H]3CCCN(C(=O)O)C3)c3c(n2)NC(=O)OC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.56
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
RBP4 P02753 2/20 0.35
HTR1D P28221 2/20 0.35
PDE10A Q9Y233 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
PREP P48147 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL4503323 1.00 IKBKB (0.56) IKBKBBCL9CTNNB1RBP4HTR1D
SCHEMBL7018884 1.00 IKBKB (0.56) IKBKBBCL9CTNNB1RBP4HTR1D
SCHEMBL13936031 0.92 IKBKB (0.53) IKBKBBCL9CTNNB1ALDH1A1HTT
SCHEMBL4504338 0.92 IKBKB (0.53) IKBKBBCL9CTNNB1ALDH1A1HTT
SCHEMBL13936043 0.92 IKBKB (0.53) IKBKBBCL9CTNNB1ALDH1A1HTT
SCHEMBL14599567 0.84 IKBKB (0.46) IKBKBBCL9CTNNB1ALDH1A1HTT
SCHEMBL13954961 0.84 IKBKB (0.50) IKBKBALDH1A1HPGD
SCHEMBL5568747 0.81 IKBKB (0.47) IKBKBHTR1DPDE10AGPR84
SCHEMBL4947847 0.81 PRMT5 (0.42) IKBKBBCL9CTNNB1HTT
SCHEMBL14599370 0.81 PRMT5 (0.42) IKBKBBCL9CTNNB1HTT

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-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-7375103-B2 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2008-05-20 US disclosed
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 EP disclosed
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 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 (2 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-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A IKBKB 28/4885BCL9 2296/4885CTNNB1 728/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A IKBKB 25/4885BCL9 2206/4885CTNNB1 707/4885

“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.