SCHEMBL7676979

SCHEMBL7676979

CCn1c(CC(=O)O)ccc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
CXCL8 P10145 1/20 0.50
AKR1B1 P15121 1/20 0.50
PTGS1 P23219 1/20 0.50
GLO1 Q04760 1/20 0.50
BDKRB2 P30411 3/20 0.42
GSK3B P49841 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ABCB11 O95342 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7678784 0.85 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7677999 0.84 PTGS2 (0.52) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7678055 0.83 PTGS2 (0.54) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11488684 0.83 CXCL8 (0.49) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7683168 0.81 CXCL8 (0.50) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11371602 0.75 KDM4E (0.41) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL3821896 0.75 GSK3B (0.41) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7680952 0.75 ALDH1A1 (0.43) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7680904 0.74 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7682276 0.74 PTGS2 (0.42) PTGS2CXCL8AKR1B1PTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A PTGS2 887/4885CXCL8 3828/4885AKR1B1 346/4885

“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.