SCHEMBL7675581

SCHEMBL7675581

COC(=O)Cc1ccc(C(=O)c2ccc(Cl)c(Br)c2)n1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
GLO1 Q04760 1/20 0.45
HPGD P15428 4/20 0.43
ALDH1A1 P00352 1/20 0.37
BDKRB2 P30411 10/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PHGDH O43175 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL7684061 0.86 PTGS2 (0.61) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11811415 0.82 PTGS1 (0.55) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11810708 0.82 PTGS2 (0.55) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7681835 0.79 TSHR (0.53) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL3999226 0.78 CXCL8 (0.72) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL4601841 0.77 CXCL8 (0.55) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678509 0.77 CXCL8 (0.49) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11371392 0.77 CXCL8 (0.57) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7676787 0.75 PTGS1 (0.38) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7682245 0.75 PTGS2 (0.66) CXCL8AKR1B1PTGS1PTGS2GLO1

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 CXCL8 3828/4885AKR1B1 346/4885PTGS1 442/4885

“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.