SCHEMBL7682278

SCHEMBL7682278

Cn1c(CC(=O)O)ccc1C(=O)c1cc(Br)cc(Br)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
PTGS1 P23219 3/20 0.52
AKR1B1 P15121 2/20 0.52
CXCL8 P10145 1/20 0.52
GLO1 Q04760 1/20 0.52
HPGD P15428 2/20 0.39
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ABCB11 O95342 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HSPD1 P10809 1/20 0.33
HSPE1 P61604 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7676787 0.86 PTGS1 (0.38) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL11816594 0.78 KDM4E (0.42) PTGS1HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL7678318 0.78 PTGS2 (0.53) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL7679417 0.76 PTGS2 (0.76) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL7682245 0.76 PTGS2 (0.66) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL8728795 0.73 PTGS2 (0.70) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL7684061 0.73 PTGS2 (0.61) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL7682070 0.72 PTGS2 (0.61) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL7680829 0.72 SMN1; SMN2 (0.53) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL7685112 0.71 PTGS2 (0.56) PTGS2PTGS1AKR1B1CXCL8GLO1

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-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

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 442/4885AKR1B1 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.