SCHEMBL7684575

SCHEMBL7684575

CCC(C(=O)O)c1ccc(C(=O)c2ccc(C)c(Cl)c2)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
HPGD P15428 2/20 0.38
CXCL8 P10145 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGS1 P23219 1/20 0.38
GLO1 Q04760 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
AGTR1 P30556 3/20 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
SCHEMBL7676873 0.83 HTT (0.44) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7681166 0.82 CXCL8 (0.56) PTGS2HPGDCXCL8AKR1B1PTGS1
SCHEMBL7678514 0.78 CXCL8 (0.42) PTGS2HPGDCXCL8AKR1B1PTGS1
SCHEMBL7678116 0.76 PTGS2 (0.67) PTGS2HPGDCXCL8AKR1B1PTGS1
SCHEMBL11769451 0.75 SRD5A2 (0.43) PTGS2SLC6A4SLC6A3SLC6A2ABCB11
SCHEMBL9063835 0.74 AKR1C3 (0.51) PTGS1GAAMAPTRAB9AKDM4E
SCHEMBL11720636 0.74 SRD5A2 (0.42) SLC6A4SLC6A3SLC6A2RAB9AAKR1C3
SCHEMBL7682420 0.74 PTGS2 (0.41) PTGS2HPGDCXCL8AKR1B1PTGS1
SCHEMBL11810107 0.72 PTGS2 (0.51) PTGS2HPGDCXCL8AKR1B1PTGS1
SCHEMBL28569713 0.72 CXCL8 (0.53) PTGS2HPGDCXCL8AKR1B1PTGS1

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 887/4885HPGD 363/4885CXCL8 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.