SCHEMBL7684729

SCHEMBL7684729

Cc1ccc(C(=O)c2ccc(CC(=O)O)n2Cc2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
CXCL8 P10145 1/20 0.47
AKR1B1 P15121 1/20 0.47
PTGS1 P23219 1/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
ABCB11 O95342 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL11810290 0.87 TSHR (0.46) ALDH1A1RECQLPOLBMAPTTSHR
SCHEMBL7681044 0.86 MEN1 (0.43) ALDH1A1CES2CES1RECQLLMNA
SCHEMBL7675533 0.85 AKR1B1 (0.48) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7682189 0.83 PTGS2 (0.49) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8726700 0.83 PTGS1 (0.47) PTGS2CXCL8AKR1B1PTGS1GLO1
Ethane SCHEMBL7676908 0.82 PTGS2 (0.47) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7685415 0.82 PTGS2 (0.46) PTGS2CXCL8AKR1B1PTGS1GLO1
Methane SCHEMBL7674451 0.82 PTGS2 (0.48) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7683639 0.81 ALDH1A1 (0.43) PTGS2PTGS1ALDH1A1CES2CES1
SCHEMBL11811258 0.80 MEN1 (0.43) ALDH1A1POLBNPC1HPGDHTT

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 887/4885CXCL8 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.