SCHEMBL7681922

SCHEMBL7681922

Cc1cc(C(C)C(=O)O)n(C)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
ABCB11 O95342 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 3/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7676990 0.89 PTGS2 (0.46) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7674668 0.87 PTGS2 (0.49) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7676839 0.87 ABCB11 (0.43) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7674446 0.86 PTGS2 (0.60) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7680616 0.85 SRD5A2 (0.44) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7674658 0.83 PTGS2 (0.41) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7681002 0.79 TSHR (0.51) PTGS2SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL7681936 0.77 PTGS2 (0.44) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL11714056 0.76 PTGS2 (0.51) PTGS2ABCB11SMN1; SMN2LMNAALDH1A1
SCHEMBL7682284 0.76 ALDH1A1 (0.44) PTGS2SMN1; SMN2LMNAALDH1A1PTGS1

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 2317/4885SMN1; SMN2 2392/4885

“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.