SCHEMBL7674658

SCHEMBL7674658

Cc1cc(C(C)C(=O)O)n(C)c1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3B P49841 1/20 0.37
TRPA1 O75762 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 3/20 0.35
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7681969 0.88 ABCB11 (0.41) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7676990 0.85 PTGS2 (0.46) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7674668 0.84 PTGS2 (0.49) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7674446 0.83 PTGS2 (0.60) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7681922 0.83 PTGS2 (0.44) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7674936 0.82 SLC6A3 (0.43) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7680616 0.80 SRD5A2 (0.44) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7678696 0.79 ABCB11 (0.38) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA
SCHEMBL7676975 0.77 GSK3B (0.40) PTGS2ALDH1A1GSK3BTRPA1CA1
SCHEMBL7677997 0.77 PTGS2 (0.70) PTGS2ABCB11ALDH1A1SMN1; SMN2LMNA

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 887/4885ABCB11 2317/4885ALDH1A1 208/4885

“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.