SCHEMBL4119644

SCHEMBL4119644

C=CCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.49
DDB1 Q16531 7/20 0.47
CRBN Q96SW2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
IKZF3 Q9UKT9 2/20 0.47
CHRM2 P08172 1/20 0.47
OPRM1 P35372 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNF P01375 1/20 0.37
IL1B P01584 1/20 0.37
TBXA2R P21731 1/20 0.37
IKZF1 Q13422 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL12041909 0.87 DDB1 (0.53) CASP3DDB1CRBNALDH1A1IKZF3
SCHEMBL5617530 0.82 DDB1 (0.57) DDB1CRBNALDH1A1IKZF3TDP1
SCHEMBL2919642 0.82 CRBN (0.50) DDB1CRBNALDH1A1IKZF3CHRM2
SCHEMBL4103132 0.82 DDB1 (0.50) DDB1CRBNALDH1A1IKZF3CHRM2
SCHEMBL4120260 0.80 ALDH1A1 (0.50) CASP3DDB1CRBNALDH1A1IKZF3
SCHEMBL4929916 0.80 CRBN (0.48) DDB1CRBNALDH1A1IKZF3CHRM2
SCHEMBL2172756 0.77 GAA (0.54) CASP3DDB1CRBNALDH1A1IKZF3
SCHEMBL5507404 0.77 CRBN (0.54) DDB1CRBNALDH1A1IKZF3CHRM2
SCHEMBL4939061 0.76 ALDH1A1 (0.46) DDB1CRBNALDH1A1IKZF3CHRM2
SCHEMBL13529621 0.75 CRBN (0.44) DDB1CRBNALDH1A1IKZF3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156641-A1 INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY CELGENE CORPORATION 2009-06-18 US disclosed
US-20060199819-A1 Inhibition of cyclooxygenase-2 activity CELGENE CORPORATION 2006-09-07 US disclosed
US-20040077686-A1 Inhibition of cyclooxygenase-2 activity CORNELL RESEARCH FOUNDATION, INC. 2004-04-22 US disclosed
EP-1272189-A4 INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY CELGENE CORP (US) 2004-01-14 EP disclosed
EP-1272189-A1 INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY CELGENE CORPORATION (US) 2003-01-08 EP disclosed
US-20020022627-A1 Inhibition of cyclooxygenase-2activity CORNELL RESEARCH FOUNDATION, INC. 2002-02-21 US disclosed
WO-2001074362-A1 INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY CELGENE CORPORATION (US) 2001-10-11 WO disclosed
US-5385901-A Treating patients with 3-phthalimido-2,6-dioxopiperidine for toxic symptoms of septic shock, cachexia and HIV infection by inhibiting excessive production of tumor necrosis factor alpha THE ROCKEFELLER UNIVERSITY (US) 1995-01-31 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 (4 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-20020022627-A1 Inhibition of cyclooxygenase-2activity PTGS2, PTGES2, PTGS1 CASP3 2067/4885DDB1 4349/4885CRBN 4224/4885
US-20090156641-A1 INHIBITION OF CYCLOOXYGENASE-2 ACTIVITY PTGS2, PTGS1, PTGES2 CASP3 1876/4885DDB1 3900/4885CRBN 4658/4885
US-20040077686-A1 Inhibition of cyclooxygenase-2 activity PTGS2, PTGS1, PTGES2 CASP3 1876/4885DDB1 3900/4885CRBN 4658/4885
US-20060199819-A1 Inhibition of cyclooxygenase-2 activity PTGS2, PTGS1, PTGES2 CASP3 1876/4885DDB1 3900/4885CRBN 4658/4885

“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.