SCHEMBL7683464

SCHEMBL7683464

CCOC(=O)Cc1c(OCC)c(C)c(C(=O)c2ccc(Cl)cc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
ABCB11 O95342 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.39
SLC2A2 P11168 1/20 0.39
CXCR3 P49682 1/20 0.38
CFTR P13569 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 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
SCHEMBL7678256 0.84 PTGS2 (0.46) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL7682322 0.84 THRB (0.48) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL10880007 0.79 PTGS2 (0.44) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL8579565 0.79 ABCB11 (0.39) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL10878924 0.79 PTGS2 (0.42) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL10879290 0.79 PTGS2 (0.44) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL11495480 0.79 PTGS2 (0.45) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL7684797 0.78 PTGS2 (0.46) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL11713532 0.77 PTGS2 (0.42) PTGS2ABCB11SMN1; SMN2LMNACYP1A2
SCHEMBL7677988 0.77 PTGS2 (0.42) PTGS2ABCB11SMN1; SMN2LMNACYP1A2

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 887/4885ABCB11 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.