SCHEMBL7684702

SCHEMBL7684702

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(N)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.76
PTGS1 P23219 2/20 0.76
CXCL8 P10145 1/20 0.76
AKR1B1 P15121 1/20 0.76
GLO1 Q04760 1/20 0.76
HPGD P15428 4/20 0.56
ABCB11 O95342 2/20 0.44
BDKRB2 P30411 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
LMNA P02545 2/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
HDAC10 Q969S8 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35

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
Tolmetin SCHEMBL11325188 0.86 PTGS2 (1.00) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL8726561 0.86 PTGS2 (0.78) PTGS2PTGS1CXCL8AKR1B1GLO1
Tolmetin SCHEMBL3150 0.86 PTGS2 (1.00) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL2237360 0.86 PTGS2 (0.77) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL7678497 0.85 PTGS2 (0.72) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL11810204 0.85 CXCL8 (0.56) PTGS2PTGS1CXCL8AKR1B1GLO1
Tolmetin SCHEMBL29461 0.85 PTGS2 (0.97) PTGS2PTGS1CXCL8AKR1B1GLO1
Tolmetin SCHEMBL11486460 0.85 PTGS2 (0.97) PTGS2PTGS1CXCL8AKR1B1GLO1
Tolmetin SCHEMBL5980424 0.85 PTGS2 (0.97) PTGS2PTGS1CXCL8AKR1B1GLO1
SCHEMBL7679417 0.85 PTGS2 (0.76) PTGS2PTGS1CXCL8AKR1B1GLO1

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 7 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-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 EP 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 887/4885PTGS1 442/4885CXCL8 3828/4885

“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.