SCHEMBL7682322

SCHEMBL7682322

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
KMT2A Q03164 4/20 0.46
PTGS2 P35354 2/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
SLC2A2 P11168 1/20 0.39

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
SCHEMBL10880007 0.91 PTGS2 (0.44) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL7678256 0.91 PTGS2 (0.46) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL7678485 0.91 KMT2A (0.48) THRBKMT2APTGS2LMNASMN1; SMN2
SCHEMBL11713532 0.89 PTGS2 (0.42) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL7677988 0.89 PTGS2 (0.42) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL10920481 0.88 TSHR (0.47) KMT2ALMNATSHRALDH1A1USP2
SCHEMBL10878924 0.88 PTGS2 (0.42) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL11190226 0.86 PTGS2 (0.40) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL7683464 0.84 PTGS2 (0.44) THRBKMT2APTGS2ABCB11LMNA
SCHEMBL11063288 0.84 KMT2A (0.64) THRBKMT2ALMNASMN1; SMN2TSHR

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 THRB 1172/4885KMT2A 514/4885PTGS2 887/4885

“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.