SCHEMBL7681255

SCHEMBL7681255

Cc1ccc(C(=O)c2c(C)c(C(=O)O)c(CC(=O)O)n2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
CXCL8 P10145 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTGS1 P23219 1/20 0.51
GLO1 Q04760 1/20 0.51
ABCB11 O95342 1/20 0.44
SRD5A2 P31213 2/20 0.44
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL10912428 0.89 PTGS2 (0.42) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7675435 0.89 PTGS2 (0.57) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11768008 0.86 PTGS2 (0.49) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7682518 0.86 HPGD (0.41) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11189853 0.83 PTGS2 (0.46) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11016599 0.81 SRD5A2 (0.50) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11084405 0.77 SMN1; SMN2 (0.36) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL11198226 0.76 PTGS2 (0.33) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7678256 0.76 PTGS2 (0.46) PTGS2ABCB11ALDH1A1LMNAHPGD
SCHEMBL10923503 0.76 KMT2A (0.46) PTGS2ABCB11ALDH1A1LMNAHPGD

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 8 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-4070368-A ACYLATION, DECARBOXYLATION MCNEIL LABORATORIES, INCORPORATED (US) 1978-01-24 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 887/4885CXCL8 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.